data_25576 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25576 _Entry.Title ; Solution structure of human SUMO1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-04-24 _Entry.Accession_date 2015-04-24 _Entry.Last_release_date 2016-04-18 _Entry.Original_release_date 2016-04-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details 'Solution structure of Small Ubiquitin-related MOdifier 1.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Mandar Naik . T. . . 25576 2 Nandita Naik . . . . 25576 3 Hsiu-Ming Shih . . . . 25576 4 Tai-huang Huang . . . . 25576 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25576 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . . . 25576 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SUMO . 25576 'Ubiquitin-like protein' . 25576 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25576 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 433 25576 '15N chemical shifts' 104 25576 '1H chemical shifts' 697 25576 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-04-18 . original BMRB . 25576 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6304 'Amide chemical shifts of mature human SUMO-1' 25576 PDB 1A5R . 25576 PDB 2N1V 'BMRB Entry Tracking System' 25576 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25576 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structures of human SUMO ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mandar Naik . T. . . 25576 1 2 Nandita Naik . . . . 25576 1 3 Hsiu-Ming Shih . . . . 25576 1 4 Tai-huang Huang . . . . 25576 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25576 _Assembly.ID 1 _Assembly.Name 'human SUMO1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'human SUMO1' 1 $SUMO1 A . yes native no no . . . 25576 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SUMO1 _Entity.Sf_category entity _Entity.Sf_framecode SUMO1 _Entity.Entry_ID 25576 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SUMO1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSQDPMSDQEA KPSTEDLGDKKEGEYIKLKV IGQDSSEIHFKVKMTTHLKK LKESYCQRQGVPMNSLRFLF EGQRIADNHTPKELGMEEED VIEVYQEQTGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-14 (MGSSHHHHHHSQDP) represent a non-native purification tag. These residues were neither assigned nor included in structure calculation. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Mature SUMO1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11149.640 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UNP P63165 . . . . . . . . . . . . . . . . 25576 1 . yes PDB 1A5R . . . . . . . . . . . . . . . . 25576 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -13 MET . 25576 1 2 -12 GLY . 25576 1 3 -11 SER . 25576 1 4 -10 SER . 25576 1 5 -9 HIS . 25576 1 6 -8 HIS . 25576 1 7 -7 HIS . 25576 1 8 -6 HIS . 25576 1 9 -5 HIS . 25576 1 10 -4 HIS . 25576 1 11 -3 SER . 25576 1 12 -2 GLN . 25576 1 13 -1 ASP . 25576 1 14 0 PRO . 25576 1 15 1 MET . 25576 1 16 2 SER . 25576 1 17 3 ASP . 25576 1 18 4 GLN . 25576 1 19 5 GLU . 25576 1 20 6 ALA . 25576 1 21 7 LYS . 25576 1 22 8 PRO . 25576 1 23 9 SER . 25576 1 24 10 THR . 25576 1 25 11 GLU . 25576 1 26 12 ASP . 25576 1 27 13 LEU . 25576 1 28 14 GLY . 25576 1 29 15 ASP . 25576 1 30 16 LYS . 25576 1 31 17 LYS . 25576 1 32 18 GLU . 25576 1 33 19 GLY . 25576 1 34 20 GLU . 25576 1 35 21 TYR . 25576 1 36 22 ILE . 25576 1 37 23 LYS . 25576 1 38 24 LEU . 25576 1 39 25 LYS . 25576 1 40 26 VAL . 25576 1 41 27 ILE . 25576 1 42 28 GLY . 25576 1 43 29 GLN . 25576 1 44 30 ASP . 25576 1 45 31 SER . 25576 1 46 32 SER . 25576 1 47 33 GLU . 25576 1 48 34 ILE . 25576 1 49 35 HIS . 25576 1 50 36 PHE . 25576 1 51 37 LYS . 25576 1 52 38 VAL . 25576 1 53 39 LYS . 25576 1 54 40 MET . 25576 1 55 41 THR . 25576 1 56 42 THR . 25576 1 57 43 HIS . 25576 1 58 44 LEU . 25576 1 59 45 LYS . 25576 1 60 46 LYS . 25576 1 61 47 LEU . 25576 1 62 48 LYS . 25576 1 63 49 GLU . 25576 1 64 50 SER . 25576 1 65 51 TYR . 25576 1 66 52 CYS . 25576 1 67 53 GLN . 25576 1 68 54 ARG . 25576 1 69 55 GLN . 25576 1 70 56 GLY . 25576 1 71 57 VAL . 25576 1 72 58 PRO . 25576 1 73 59 MET . 25576 1 74 60 ASN . 25576 1 75 61 SER . 25576 1 76 62 LEU . 25576 1 77 63 ARG . 25576 1 78 64 PHE . 25576 1 79 65 LEU . 25576 1 80 66 PHE . 25576 1 81 67 GLU . 25576 1 82 68 GLY . 25576 1 83 69 GLN . 25576 1 84 70 ARG . 25576 1 85 71 ILE . 25576 1 86 72 ALA . 25576 1 87 73 ASP . 25576 1 88 74 ASN . 25576 1 89 75 HIS . 25576 1 90 76 THR . 25576 1 91 77 PRO . 25576 1 92 78 LYS . 25576 1 93 79 GLU . 25576 1 94 80 LEU . 25576 1 95 81 GLY . 25576 1 96 82 MET . 25576 1 97 83 GLU . 25576 1 98 84 GLU . 25576 1 99 85 GLU . 25576 1 100 86 ASP . 25576 1 101 87 VAL . 25576 1 102 88 ILE . 25576 1 103 89 GLU . 25576 1 104 90 VAL . 25576 1 105 91 TYR . 25576 1 106 92 GLN . 25576 1 107 93 GLU . 25576 1 108 94 GLN . 25576 1 109 95 THR . 25576 1 110 96 GLY . 25576 1 111 97 GLY . 25576 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25576 1 . GLY 2 2 25576 1 . SER 3 3 25576 1 . SER 4 4 25576 1 . HIS 5 5 25576 1 . HIS 6 6 25576 1 . HIS 7 7 25576 1 . HIS 8 8 25576 1 . HIS 9 9 25576 1 . HIS 10 10 25576 1 . SER 11 11 25576 1 . GLN 12 12 25576 1 . ASP 13 13 25576 1 . PRO 14 14 25576 1 . MET 15 15 25576 1 . SER 16 16 25576 1 . ASP 17 17 25576 1 . GLN 18 18 25576 1 . GLU 19 19 25576 1 . ALA 20 20 25576 1 . LYS 21 21 25576 1 . PRO 22 22 25576 1 . SER 23 23 25576 1 . THR 24 24 25576 1 . GLU 25 25 25576 1 . ASP 26 26 25576 1 . LEU 27 27 25576 1 . GLY 28 28 25576 1 . ASP 29 29 25576 1 . LYS 30 30 25576 1 . LYS 31 31 25576 1 . GLU 32 32 25576 1 . GLY 33 33 25576 1 . GLU 34 34 25576 1 . TYR 35 35 25576 1 . ILE 36 36 25576 1 . LYS 37 37 25576 1 . LEU 38 38 25576 1 . LYS 39 39 25576 1 . VAL 40 40 25576 1 . ILE 41 41 25576 1 . GLY 42 42 25576 1 . GLN 43 43 25576 1 . ASP 44 44 25576 1 . SER 45 45 25576 1 . SER 46 46 25576 1 . GLU 47 47 25576 1 . ILE 48 48 25576 1 . HIS 49 49 25576 1 . PHE 50 50 25576 1 . LYS 51 51 25576 1 . VAL 52 52 25576 1 . LYS 53 53 25576 1 . MET 54 54 25576 1 . THR 55 55 25576 1 . THR 56 56 25576 1 . HIS 57 57 25576 1 . LEU 58 58 25576 1 . LYS 59 59 25576 1 . LYS 60 60 25576 1 . LEU 61 61 25576 1 . LYS 62 62 25576 1 . GLU 63 63 25576 1 . SER 64 64 25576 1 . TYR 65 65 25576 1 . CYS 66 66 25576 1 . GLN 67 67 25576 1 . ARG 68 68 25576 1 . GLN 69 69 25576 1 . GLY 70 70 25576 1 . VAL 71 71 25576 1 . PRO 72 72 25576 1 . MET 73 73 25576 1 . ASN 74 74 25576 1 . SER 75 75 25576 1 . LEU 76 76 25576 1 . ARG 77 77 25576 1 . PHE 78 78 25576 1 . LEU 79 79 25576 1 . PHE 80 80 25576 1 . GLU 81 81 25576 1 . GLY 82 82 25576 1 . GLN 83 83 25576 1 . ARG 84 84 25576 1 . ILE 85 85 25576 1 . ALA 86 86 25576 1 . ASP 87 87 25576 1 . ASN 88 88 25576 1 . HIS 89 89 25576 1 . THR 90 90 25576 1 . PRO 91 91 25576 1 . LYS 92 92 25576 1 . GLU 93 93 25576 1 . LEU 94 94 25576 1 . GLY 95 95 25576 1 . MET 96 96 25576 1 . GLU 97 97 25576 1 . GLU 98 98 25576 1 . GLU 99 99 25576 1 . ASP 100 100 25576 1 . VAL 101 101 25576 1 . ILE 102 102 25576 1 . GLU 103 103 25576 1 . VAL 104 104 25576 1 . TYR 105 105 25576 1 . GLN 106 106 25576 1 . GLU 107 107 25576 1 . GLN 108 108 25576 1 . THR 109 109 25576 1 . GLY 110 110 25576 1 . GLY 111 111 25576 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25576 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SUMO1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . SUMO1 'Mature form of Small Ubiquitin-related MOdifier 1.' 25576 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25576 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SUMO1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pCDFDuet-1 . . 'Plasmid pCDF PylT-1 with SUMO insert and pAcKRS-3 as described in Neumann et al., Mol Cell, 36, 153, 2009' 25576 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CN _Sample.Sf_category sample _Sample.Sf_framecode CN _Sample.Entry_ID 25576 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N SUMO1' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SUMO1 '[U-100% 13C; U-100% 15N]' . . 1 $SUMO1 . . . 0.5 1 mM 0.05 . . . 25576 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 1 . . . 25576 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 25576 1 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 25576 1 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM 0.005 . . . 25576 1 6 'sodium azide' 'natural abundance' . . . . . . 0.001 . . % 0.001 . . . 25576 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25576 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25576 1 stop_ save_ save_N _Sample.Sf_category sample _Sample.Sf_framecode N _Sample.Entry_ID 25576 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N SUMO1' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SUMO1 '[U-100% 15N]' . . 1 $SUMO1 . . . 0.5 1 mM 0.05 . . . 25576 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 1 . . . 25576 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 25576 2 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 25576 2 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM 0.005 . . . 25576 2 6 'sodium azide' 'natural abundance' . . . . . . 0.001 . . % 0.001 . . . 25576 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25576 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25576 2 stop_ save_ save_Phage _Sample.Sf_category sample _Sample.Sf_framecode Phage _Sample.Entry_ID 25576 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N SUMO1 in Pf1 phage alignment medium.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SUMO1 '[U-100% 15N]' . . 1 $SUMO1 . . . 0.5 1 mM 0.05 . . . 25576 3 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 1 . . . 25576 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 25576 3 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 25576 3 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM 0.005 . . . 25576 3 6 'sodium azide' 'natural abundance' . . . . . . 0.001 . . % 0.001 . . . 25576 3 7 'Pf1 phage' 'natural abundance' . . . . . . 10 . . w/v 0.1 . . . 25576 3 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25576 3 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25576 3 stop_ save_ save_Unlabeled _Sample.Sf_category sample _Sample.Sf_framecode Unlabeled _Sample.Entry_ID 25576 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details SUMO1 _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SUMO1 'natural abundance' . . 1 $SUMO1 . . . 0.5 1 mM 0.05 . . . 25576 4 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 1 . . . 25576 4 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 25576 4 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 25576 4 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM 0.005 . . . 25576 4 6 'sodium azide' 'natural abundance' . . . . . . 0.001 . . % 0.001 . . . 25576 4 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25576 4 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25576 4 stop_ save_ ####################### # Sample conditions # ####################### save_Default _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Default _Sample_condition_list.Entry_ID 25576 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'NMR data was acquired in shigemi tubes.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 25576 1 pressure 1 . atm 25576 1 temperature 290 0.1 K 25576 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25576 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25576 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25576 1 processing 25576 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25576 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25576 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25576 2 'data analysis' 25576 2 'peak picking' 25576 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25576 _Software.ID 3 _Software.Name CYANA _Software.Version 3.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25576 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25576 3 'structure solution' 25576 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25576 _Software.ID 4 _Software.Name X-PLOR_NIH _Software.Version 2.34 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25576 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25576 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25576 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25576 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25576 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25576 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25576 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 25576 1 2 spectrometer_2 Bruker Avance . 600 . . . 25576 1 3 spectrometer_3 Bruker Avance . 800 . . . 25576 1 4 spectrometer_4 Bruker Avance . 850 . . . 25576 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25576 _Experiment_list.ID 1 _Experiment_list.Details 'NMR data was acquired at 295K using Shigemi NMR tubes.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $N isotropic . . 1 $Default . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25576 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25576 1 3 '3D HNCO' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25576 1 4 '3D HNCA' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25576 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25576 1 6 '3D HNCACB' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25576 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25576 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25576 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25576 1 10 '3D HBHAcoNH' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25576 1 11 2D-hbCBcgcdHD no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25576 1 12 2D-hbCBcgcdceHE no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25576 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25576 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $Unlabeled isotropic . . 1 $Default . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25576 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25576 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25576 1 17 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . 3 $Phage anisotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25576 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25576 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 25576 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 25576 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 25576 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 25576 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Default _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'Tolerance value used in automated NOESY assignments.' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25576 1 2 '2D 1H-13C HSQC' . . . 25576 1 3 '3D HNCO' . . . 25576 1 4 '3D HNCA' . . . 25576 1 5 '3D HN(CO)CA' . . . 25576 1 6 '3D HNCACB' . . . 25576 1 7 '3D CBCA(CO)NH' . . . 25576 1 8 '3D HCCH-TOCSY' . . . 25576 1 9 '3D HCCH-COSY' . . . 25576 1 10 '3D HBHAcoNH' . . . 25576 1 11 2D-hbCBcgcdHD . . . 25576 1 12 2D-hbCBcgcdceHE . . . 25576 1 13 '3D 1H-15N TOCSY' . . . 25576 1 15 '3D 1H-15N NOESY' . . . 25576 1 16 '3D 1H-13C NOESY' . . . 25576 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 25576 1 2 $SPARKY . . 25576 1 3 $CYANA . . 25576 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 15 15 MET H H 1 8.490 0.020 . 1 . . . A 1 MET H . 25576 1 2 . 1 1 15 15 MET HA H 1 4.543 0.020 . 1 . . . A 1 MET HA . 25576 1 3 . 1 1 15 15 MET HB2 H 1 1.978 0.020 . 2 . . . A 1 MET HB2 . 25576 1 4 . 1 1 15 15 MET HB3 H 1 1.978 0.020 . 2 . . . A 1 MET HB3 . 25576 1 5 . 1 1 15 15 MET HG2 H 1 2.606 0.020 . 2 . . . A 1 MET HG2 . 25576 1 6 . 1 1 15 15 MET HG3 H 1 2.606 0.020 . 2 . . . A 1 MET HG3 . 25576 1 7 . 1 1 15 15 MET HE1 H 1 2.050 0.020 . 1 . . . A 1 MET HE1 . 25576 1 8 . 1 1 15 15 MET HE2 H 1 2.050 0.020 . 1 . . . A 1 MET HE2 . 25576 1 9 . 1 1 15 15 MET HE3 H 1 2.050 0.020 . 1 . . . A 1 MET HE3 . 25576 1 10 . 1 1 15 15 MET C C 13 176.763 0.400 . 1 . . . A 1 MET C . 25576 1 11 . 1 1 15 15 MET CA C 13 55.755 0.400 . 1 . . . A 1 MET CA . 25576 1 12 . 1 1 15 15 MET CB C 13 32.553 0.400 . 1 . . . A 1 MET CB . 25576 1 13 . 1 1 15 15 MET CG C 13 32.101 0.400 . 1 . . . A 1 MET CG . 25576 1 14 . 1 1 15 15 MET CE C 13 16.938 0.400 . 1 . . . A 1 MET CE . 25576 1 15 . 1 1 15 15 MET N N 15 118.998 0.400 . 1 . . . A 1 MET N . 25576 1 16 . 1 1 16 16 SER H H 1 8.127 0.020 . 1 . . . A 2 SER H . 25576 1 17 . 1 1 16 16 SER HA H 1 4.458 0.020 . 1 . . . A 2 SER HA . 25576 1 18 . 1 1 16 16 SER HB2 H 1 3.848 0.020 . 2 . . . A 2 SER HB2 . 25576 1 19 . 1 1 16 16 SER HB3 H 1 3.848 0.020 . 2 . . . A 2 SER HB3 . 25576 1 20 . 1 1 16 16 SER C C 13 174.579 0.400 . 1 . . . A 2 SER C . 25576 1 21 . 1 1 16 16 SER CA C 13 58.539 0.400 . 1 . . . A 2 SER CA . 25576 1 22 . 1 1 16 16 SER CB C 13 63.940 0.400 . 1 . . . A 2 SER CB . 25576 1 23 . 1 1 16 16 SER N N 15 116.367 0.400 . 1 . . . A 2 SER N . 25576 1 24 . 1 1 17 17 ASP H H 1 8.360 0.020 . 1 . . . A 3 ASP H . 25576 1 25 . 1 1 17 17 ASP HA H 1 4.566 0.020 . 1 . . . A 3 ASP HA . 25576 1 26 . 1 1 17 17 ASP HB2 H 1 2.670 0.020 . 2 . . . A 3 ASP HB2 . 25576 1 27 . 1 1 17 17 ASP HB3 H 1 2.670 0.020 . 2 . . . A 3 ASP HB3 . 25576 1 28 . 1 1 17 17 ASP C C 13 176.445 0.400 . 1 . . . A 3 ASP C . 25576 1 29 . 1 1 17 17 ASP CA C 13 54.819 0.400 . 1 . . . A 3 ASP CA . 25576 1 30 . 1 1 17 17 ASP CB C 13 40.939 0.400 . 1 . . . A 3 ASP CB . 25576 1 31 . 1 1 17 17 ASP N N 15 122.355 0.400 . 1 . . . A 3 ASP N . 25576 1 32 . 1 1 18 18 GLN H H 1 8.250 0.020 . 1 . . . A 4 GLN H . 25576 1 33 . 1 1 18 18 GLN HA H 1 4.262 0.020 . 1 . . . A 4 GLN HA . 25576 1 34 . 1 1 18 18 GLN HB2 H 1 2.150 0.020 . 2 . . . A 4 GLN HB2 . 25576 1 35 . 1 1 18 18 GLN HB3 H 1 1.964 0.020 . 2 . . . A 4 GLN HB3 . 25576 1 36 . 1 1 18 18 GLN HG2 H 1 2.336 0.020 . 2 . . . A 4 GLN HG2 . 25576 1 37 . 1 1 18 18 GLN HG3 H 1 2.336 0.020 . 2 . . . A 4 GLN HG3 . 25576 1 38 . 1 1 18 18 GLN HE21 H 1 7.541 0.020 . 1 . . . A 4 GLN HE21 . 25576 1 39 . 1 1 18 18 GLN HE22 H 1 6.892 0.020 . 1 . . . A 4 GLN HE22 . 25576 1 40 . 1 1 18 18 GLN C C 13 176.138 0.400 . 1 . . . A 4 GLN C . 25576 1 41 . 1 1 18 18 GLN CA C 13 55.933 0.400 . 1 . . . A 4 GLN CA . 25576 1 42 . 1 1 18 18 GLN CB C 13 29.411 0.400 . 1 . . . A 4 GLN CB . 25576 1 43 . 1 1 18 18 GLN CG C 13 33.659 0.400 . 1 . . . A 4 GLN CG . 25576 1 44 . 1 1 18 18 GLN N N 15 119.955 0.400 . 1 . . . A 4 GLN N . 25576 1 45 . 1 1 18 18 GLN NE2 N 15 112.030 0.400 . 1 . . . A 4 GLN NE2 . 25576 1 46 . 1 1 19 19 GLU H H 1 8.292 0.020 . 1 . . . A 5 GLU H . 25576 1 47 . 1 1 19 19 GLU HA H 1 4.203 0.020 . 1 . . . A 5 GLU HA . 25576 1 48 . 1 1 19 19 GLU HB2 H 1 1.959 0.020 . 2 . . . A 5 GLU HB2 . 25576 1 49 . 1 1 19 19 GLU HB3 H 1 1.959 0.020 . 2 . . . A 5 GLU HB3 . 25576 1 50 . 1 1 19 19 GLU HG2 H 1 2.186 0.020 . 2 . . . A 5 GLU HG2 . 25576 1 51 . 1 1 19 19 GLU HG3 H 1 2.186 0.020 . 2 . . . A 5 GLU HG3 . 25576 1 52 . 1 1 19 19 GLU C C 13 176.137 0.400 . 1 . . . A 5 GLU C . 25576 1 53 . 1 1 19 19 GLU CA C 13 56.480 0.400 . 1 . . . A 5 GLU CA . 25576 1 54 . 1 1 19 19 GLU CB C 13 30.261 0.400 . 1 . . . A 5 GLU CB . 25576 1 55 . 1 1 19 19 GLU CG C 13 36.449 0.400 . 1 . . . A 5 GLU CG . 25576 1 56 . 1 1 19 19 GLU N N 15 121.392 0.400 . 1 . . . A 5 GLU N . 25576 1 57 . 1 1 20 20 ALA H H 1 8.253 0.020 . 1 . . . A 6 ALA H . 25576 1 58 . 1 1 20 20 ALA HA H 1 4.261 0.020 . 1 . . . A 6 ALA HA . 25576 1 59 . 1 1 20 20 ALA HB1 H 1 1.319 0.020 . 1 . . . A 6 ALA HB1 . 25576 1 60 . 1 1 20 20 ALA HB2 H 1 1.319 0.020 . 1 . . . A 6 ALA HB2 . 25576 1 61 . 1 1 20 20 ALA HB3 H 1 1.319 0.020 . 1 . . . A 6 ALA HB3 . 25576 1 62 . 1 1 20 20 ALA C C 13 177.348 0.400 . 1 . . . A 6 ALA C . 25576 1 63 . 1 1 20 20 ALA CA C 13 52.319 0.400 . 1 . . . A 6 ALA CA . 25576 1 64 . 1 1 20 20 ALA CB C 13 19.120 0.400 . 1 . . . A 6 ALA CB . 25576 1 65 . 1 1 20 20 ALA N N 15 125.339 0.400 . 1 . . . A 6 ALA N . 25576 1 66 . 1 1 21 21 LYS H H 1 8.302 0.020 . 1 . . . A 7 LYS H . 25576 1 67 . 1 1 21 21 LYS HA H 1 4.573 0.020 . 1 . . . A 7 LYS HA . 25576 1 68 . 1 1 21 21 LYS HB2 H 1 1.793 0.020 . 2 . . . A 7 LYS HB2 . 25576 1 69 . 1 1 21 21 LYS HB3 H 1 1.685 0.020 . 2 . . . A 7 LYS HB3 . 25576 1 70 . 1 1 21 21 LYS HG2 H 1 1.419 0.020 . 2 . . . A 7 LYS HG2 . 25576 1 71 . 1 1 21 21 LYS HG3 H 1 1.419 0.020 . 2 . . . A 7 LYS HG3 . 25576 1 72 . 1 1 21 21 LYS HD2 H 1 1.646 0.020 . 2 . . . A 7 LYS HD2 . 25576 1 73 . 1 1 21 21 LYS HD3 H 1 1.646 0.020 . 2 . . . A 7 LYS HD3 . 25576 1 74 . 1 1 21 21 LYS HE2 H 1 2.970 0.020 . 2 . . . A 7 LYS HE2 . 25576 1 75 . 1 1 21 21 LYS HE3 H 1 2.970 0.020 . 2 . . . A 7 LYS HE3 . 25576 1 76 . 1 1 21 21 LYS CA C 13 54.062 0.400 . 1 . . . A 7 LYS CA . 25576 1 77 . 1 1 21 21 LYS CB C 13 32.588 0.400 . 1 . . . A 7 LYS CB . 25576 1 78 . 1 1 21 21 LYS CG C 13 24.622 0.400 . 1 . . . A 7 LYS CG . 25576 1 79 . 1 1 21 21 LYS CD C 13 29.028 0.400 . 1 . . . A 7 LYS CD . 25576 1 80 . 1 1 21 21 LYS CE C 13 42.083 0.400 . 1 . . . A 7 LYS CE . 25576 1 81 . 1 1 21 21 LYS N N 15 122.299 0.400 . 1 . . . A 7 LYS N . 25576 1 82 . 1 1 22 22 PRO HA H 1 4.425 0.020 . 1 . . . A 8 PRO HA . 25576 1 83 . 1 1 22 22 PRO HB2 H 1 2.268 0.020 . 1 . . . A 8 PRO HB2 . 25576 1 84 . 1 1 22 22 PRO HB3 H 1 1.892 0.020 . 1 . . . A 8 PRO HB3 . 25576 1 85 . 1 1 22 22 PRO HG2 H 1 1.979 0.020 . 2 . . . A 8 PRO HG2 . 25576 1 86 . 1 1 22 22 PRO HG3 H 1 1.979 0.020 . 2 . . . A 8 PRO HG3 . 25576 1 87 . 1 1 22 22 PRO HD2 H 1 3.793 0.020 . 1 . . . A 8 PRO HD2 . 25576 1 88 . 1 1 22 22 PRO HD3 H 1 3.617 0.020 . 1 . . . A 8 PRO HD3 . 25576 1 89 . 1 1 22 22 PRO C C 13 177.020 0.400 . 1 . . . A 8 PRO C . 25576 1 90 . 1 1 22 22 PRO CA C 13 63.029 0.400 . 1 . . . A 8 PRO CA . 25576 1 91 . 1 1 22 22 PRO CB C 13 32.158 0.400 . 1 . . . A 8 PRO CB . 25576 1 92 . 1 1 22 22 PRO CG C 13 27.357 0.400 . 1 . . . A 8 PRO CG . 25576 1 93 . 1 1 22 22 PRO CD C 13 50.704 0.400 . 1 . . . A 8 PRO CD . 25576 1 94 . 1 1 23 23 SER H H 1 8.596 0.020 . 1 . . . A 9 SER H . 25576 1 95 . 1 1 23 23 SER HA H 1 4.479 0.020 . 1 . . . A 9 SER HA . 25576 1 96 . 1 1 23 23 SER HB2 H 1 3.860 0.020 . 2 . . . A 9 SER HB2 . 25576 1 97 . 1 1 23 23 SER HB3 H 1 3.860 0.020 . 2 . . . A 9 SER HB3 . 25576 1 98 . 1 1 23 23 SER C C 13 174.261 0.400 . 1 . . . A 9 SER C . 25576 1 99 . 1 1 23 23 SER CA C 13 58.299 0.400 . 1 . . . A 9 SER CA . 25576 1 100 . 1 1 23 23 SER CB C 13 63.848 0.400 . 1 . . . A 9 SER CB . 25576 1 101 . 1 1 23 23 SER N N 15 116.888 0.400 . 1 . . . A 9 SER N . 25576 1 102 . 1 1 24 24 THR H H 1 8.247 0.020 . 1 . . . A 10 THR H . 25576 1 103 . 1 1 24 24 THR HA H 1 4.334 0.020 . 1 . . . A 10 THR HA . 25576 1 104 . 1 1 24 24 THR HB H 1 4.249 0.020 . 1 . . . A 10 THR HB . 25576 1 105 . 1 1 24 24 THR HG21 H 1 1.171 0.020 . 1 . . . A 10 THR HG21 . 25576 1 106 . 1 1 24 24 THR HG22 H 1 1.171 0.020 . 1 . . . A 10 THR HG22 . 25576 1 107 . 1 1 24 24 THR HG23 H 1 1.171 0.020 . 1 . . . A 10 THR HG23 . 25576 1 108 . 1 1 24 24 THR C C 13 176.158 0.400 . 1 . . . A 10 THR C . 25576 1 109 . 1 1 24 24 THR CA C 13 61.966 0.400 . 1 . . . A 10 THR CA . 25576 1 110 . 1 1 24 24 THR CB C 13 69.581 0.400 . 1 . . . A 10 THR CB . 25576 1 111 . 1 1 24 24 THR CG2 C 13 21.499 0.400 . 1 . . . A 10 THR CG2 . 25576 1 112 . 1 1 24 24 THR N N 15 115.838 0.400 . 1 . . . A 10 THR N . 25576 1 113 . 1 1 25 25 GLU H H 1 8.355 0.020 . 1 . . . A 11 GLU H . 25576 1 114 . 1 1 25 25 GLU HA H 1 4.237 0.020 . 1 . . . A 11 GLU HA . 25576 1 115 . 1 1 25 25 GLU HB2 H 1 1.898 0.020 . 2 . . . A 11 GLU HB2 . 25576 1 116 . 1 1 25 25 GLU HB3 H 1 1.898 0.020 . 2 . . . A 11 GLU HB3 . 25576 1 117 . 1 1 25 25 GLU HG2 H 1 2.219 0.020 . 2 . . . A 11 GLU HG2 . 25576 1 118 . 1 1 25 25 GLU HG3 H 1 2.219 0.020 . 2 . . . A 11 GLU HG3 . 25576 1 119 . 1 1 25 25 GLU C C 13 175.920 0.400 . 1 . . . A 11 GLU C . 25576 1 120 . 1 1 25 25 GLU CA C 13 56.779 0.400 . 1 . . . A 11 GLU CA . 25576 1 121 . 1 1 25 25 GLU CB C 13 29.869 0.400 . 1 . . . A 11 GLU CB . 25576 1 122 . 1 1 25 25 GLU CG C 13 36.240 0.400 . 1 . . . A 11 GLU CG . 25576 1 123 . 1 1 25 25 GLU N N 15 122.975 0.400 . 1 . . . A 11 GLU N . 25576 1 124 . 1 1 26 26 ASP H H 1 8.411 0.020 . 1 . . . A 12 ASP H . 25576 1 125 . 1 1 26 26 ASP HA H 1 4.562 0.020 . 1 . . . A 12 ASP HA . 25576 1 126 . 1 1 26 26 ASP HB2 H 1 2.584 0.020 . 2 . . . A 12 ASP HB2 . 25576 1 127 . 1 1 26 26 ASP HB3 H 1 2.584 0.020 . 2 . . . A 12 ASP HB3 . 25576 1 128 . 1 1 26 26 ASP C C 13 176.402 0.400 . 1 . . . A 12 ASP C . 25576 1 129 . 1 1 26 26 ASP CA C 13 54.224 0.400 . 1 . . . A 12 ASP CA . 25576 1 130 . 1 1 26 26 ASP CB C 13 41.161 0.400 . 1 . . . A 12 ASP CB . 25576 1 131 . 1 1 26 26 ASP N N 15 122.117 0.400 . 1 . . . A 12 ASP N . 25576 1 132 . 1 1 27 27 LEU H H 1 8.391 0.020 . 1 . . . A 13 LEU H . 25576 1 133 . 1 1 27 27 LEU HA H 1 4.306 0.020 . 1 . . . A 13 LEU HA . 25576 1 134 . 1 1 27 27 LEU HB2 H 1 1.591 0.020 . 1 . . . A 13 LEU HB2 . 25576 1 135 . 1 1 27 27 LEU HB3 H 1 1.673 0.020 . 1 . . . A 13 LEU HB3 . 25576 1 136 . 1 1 27 27 LEU HG H 1 1.602 0.020 . 1 . . . A 13 LEU HG . 25576 1 137 . 1 1 27 27 LEU HD11 H 1 0.889 0.020 . 2 . . . A 13 LEU HD11 . 25576 1 138 . 1 1 27 27 LEU HD12 H 1 0.889 0.020 . 2 . . . A 13 LEU HD12 . 25576 1 139 . 1 1 27 27 LEU HD13 H 1 0.889 0.020 . 2 . . . A 13 LEU HD13 . 25576 1 140 . 1 1 27 27 LEU HD21 H 1 0.810 0.020 . 2 . . . A 13 LEU HD21 . 25576 1 141 . 1 1 27 27 LEU HD22 H 1 0.810 0.020 . 2 . . . A 13 LEU HD22 . 25576 1 142 . 1 1 27 27 LEU HD23 H 1 0.810 0.020 . 2 . . . A 13 LEU HD23 . 25576 1 143 . 1 1 27 27 LEU C C 13 178.231 0.400 . 1 . . . A 13 LEU C . 25576 1 144 . 1 1 27 27 LEU CA C 13 55.384 0.400 . 1 . . . A 13 LEU CA . 25576 1 145 . 1 1 27 27 LEU CB C 13 42.132 0.400 . 1 . . . A 13 LEU CB . 25576 1 146 . 1 1 27 27 LEU CG C 13 26.930 0.400 . 1 . . . A 13 LEU CG . 25576 1 147 . 1 1 27 27 LEU CD1 C 13 24.935 0.400 . 1 . . . A 13 LEU CD1 . 25576 1 148 . 1 1 27 27 LEU CD2 C 13 23.064 0.400 . 1 . . . A 13 LEU CD2 . 25576 1 149 . 1 1 27 27 LEU N N 15 123.695 0.400 . 1 . . . A 13 LEU N . 25576 1 150 . 1 1 28 28 GLY H H 1 8.456 0.020 . 1 . . . A 14 GLY H . 25576 1 151 . 1 1 28 28 GLY HA2 H 1 3.892 0.020 . 2 . . . A 14 GLY HA2 . 25576 1 152 . 1 1 28 28 GLY HA3 H 1 3.892 0.020 . 2 . . . A 14 GLY HA3 . 25576 1 153 . 1 1 28 28 GLY C C 13 174.014 0.400 . 1 . . . A 14 GLY C . 25576 1 154 . 1 1 28 28 GLY CA C 13 45.600 0.400 . 1 . . . A 14 GLY CA . 25576 1 155 . 1 1 28 28 GLY N N 15 108.928 0.400 . 1 . . . A 14 GLY N . 25576 1 156 . 1 1 29 29 ASP H H 1 8.207 0.020 . 1 . . . A 15 ASP H . 25576 1 157 . 1 1 29 29 ASP HA H 1 4.544 0.020 . 1 . . . A 15 ASP HA . 25576 1 158 . 1 1 29 29 ASP HB2 H 1 2.625 0.020 . 2 . . . A 15 ASP HB2 . 25576 1 159 . 1 1 29 29 ASP HB3 H 1 2.625 0.020 . 2 . . . A 15 ASP HB3 . 25576 1 160 . 1 1 29 29 ASP C C 13 176.810 0.400 . 1 . . . A 15 ASP C . 25576 1 161 . 1 1 29 29 ASP CA C 13 54.389 0.400 . 1 . . . A 15 ASP CA . 25576 1 162 . 1 1 29 29 ASP CB C 13 41.153 0.400 . 1 . . . A 15 ASP CB . 25576 1 163 . 1 1 29 29 ASP N N 15 120.427 0.400 . 1 . . . A 15 ASP N . 25576 1 164 . 1 1 30 30 LYS H H 1 8.302 0.020 . 1 . . . A 16 LYS H . 25576 1 165 . 1 1 30 30 LYS HA H 1 4.269 0.020 . 1 . . . A 16 LYS HA . 25576 1 166 . 1 1 30 30 LYS HB2 H 1 1.827 0.020 . 2 . . . A 16 LYS HB2 . 25576 1 167 . 1 1 30 30 LYS HB3 H 1 1.827 0.020 . 2 . . . A 16 LYS HB3 . 25576 1 168 . 1 1 30 30 LYS HG2 H 1 1.540 0.020 . 2 . . . A 16 LYS HG2 . 25576 1 169 . 1 1 30 30 LYS HG3 H 1 1.540 0.020 . 2 . . . A 16 LYS HG3 . 25576 1 170 . 1 1 30 30 LYS HD2 H 1 1.636 0.020 . 2 . . . A 16 LYS HD2 . 25576 1 171 . 1 1 30 30 LYS HD3 H 1 1.636 0.020 . 2 . . . A 16 LYS HD3 . 25576 1 172 . 1 1 30 30 LYS HE2 H 1 3.186 0.020 . 2 . . . A 16 LYS HE2 . 25576 1 173 . 1 1 30 30 LYS HE3 H 1 3.186 0.020 . 2 . . . A 16 LYS HE3 . 25576 1 174 . 1 1 30 30 LYS C C 13 176.470 0.400 . 1 . . . A 16 LYS C . 25576 1 175 . 1 1 30 30 LYS CA C 13 56.579 0.400 . 1 . . . A 16 LYS CA . 25576 1 176 . 1 1 30 30 LYS CB C 13 29.470 0.400 . 1 . . . A 16 LYS CB . 25576 1 177 . 1 1 30 30 LYS CG C 13 27.435 0.400 . 1 . . . A 16 LYS CG . 25576 1 178 . 1 1 30 30 LYS CD C 13 28.764 0.400 . 1 . . . A 16 LYS CD . 25576 1 179 . 1 1 30 30 LYS CE C 13 43.023 0.400 . 1 . . . A 16 LYS CE . 25576 1 180 . 1 1 30 30 LYS N N 15 121.257 0.400 . 1 . . . A 16 LYS N . 25576 1 181 . 1 1 31 31 LYS H H 1 8.383 0.020 . 1 . . . A 17 LYS H . 25576 1 182 . 1 1 31 31 LYS HA H 1 4.267 0.020 . 1 . . . A 17 LYS HA . 25576 1 183 . 1 1 31 31 LYS HB2 H 1 1.784 0.020 . 2 . . . A 17 LYS HB2 . 25576 1 184 . 1 1 31 31 LYS HB3 H 1 1.784 0.020 . 2 . . . A 17 LYS HB3 . 25576 1 185 . 1 1 31 31 LYS HG2 H 1 1.388 0.020 . 2 . . . A 17 LYS HG2 . 25576 1 186 . 1 1 31 31 LYS HG3 H 1 1.388 0.020 . 2 . . . A 17 LYS HG3 . 25576 1 187 . 1 1 31 31 LYS HD2 H 1 1.645 0.020 . 2 . . . A 17 LYS HD2 . 25576 1 188 . 1 1 31 31 LYS HD3 H 1 1.645 0.020 . 2 . . . A 17 LYS HD3 . 25576 1 189 . 1 1 31 31 LYS HE2 H 1 2.969 0.020 . 2 . . . A 17 LYS HE2 . 25576 1 190 . 1 1 31 31 LYS HE3 H 1 2.969 0.020 . 2 . . . A 17 LYS HE3 . 25576 1 191 . 1 1 31 31 LYS C C 13 176.837 0.400 . 1 . . . A 17 LYS C . 25576 1 192 . 1 1 31 31 LYS CA C 13 56.177 0.400 . 1 . . . A 17 LYS CA . 25576 1 193 . 1 1 31 31 LYS CB C 13 32.684 0.400 . 1 . . . A 17 LYS CB . 25576 1 194 . 1 1 31 31 LYS CG C 13 24.651 0.400 . 1 . . . A 17 LYS CG . 25576 1 195 . 1 1 31 31 LYS CD C 13 29.000 0.400 . 1 . . . A 17 LYS CD . 25576 1 196 . 1 1 31 31 LYS CE C 13 42.104 0.400 . 1 . . . A 17 LYS CE . 25576 1 197 . 1 1 31 31 LYS N N 15 122.205 0.400 . 1 . . . A 17 LYS N . 25576 1 198 . 1 1 32 32 GLU H H 1 8.497 0.020 . 1 . . . A 18 GLU H . 25576 1 199 . 1 1 32 32 GLU HA H 1 4.252 0.020 . 1 . . . A 18 GLU HA . 25576 1 200 . 1 1 32 32 GLU HB2 H 1 1.995 0.020 . 2 . . . A 18 GLU HB2 . 25576 1 201 . 1 1 32 32 GLU HB3 H 1 1.995 0.020 . 2 . . . A 18 GLU HB3 . 25576 1 202 . 1 1 32 32 GLU HG2 H 1 2.227 0.020 . 2 . . . A 18 GLU HG2 . 25576 1 203 . 1 1 32 32 GLU HG3 H 1 2.227 0.020 . 2 . . . A 18 GLU HG3 . 25576 1 204 . 1 1 32 32 GLU C C 13 176.964 0.400 . 1 . . . A 18 GLU C . 25576 1 205 . 1 1 32 32 GLU CA C 13 57.094 0.400 . 1 . . . A 18 GLU CA . 25576 1 206 . 1 1 32 32 GLU CB C 13 30.261 0.400 . 1 . . . A 18 GLU CB . 25576 1 207 . 1 1 32 32 GLU CG C 13 36.277 0.400 . 1 . . . A 18 GLU CG . 25576 1 208 . 1 1 32 32 GLU N N 15 121.859 0.400 . 1 . . . A 18 GLU N . 25576 1 209 . 1 1 33 33 GLY H H 1 8.447 0.020 . 1 . . . A 19 GLY H . 25576 1 210 . 1 1 33 33 GLY HA2 H 1 3.917 0.020 . 2 . . . A 19 GLY HA2 . 25576 1 211 . 1 1 33 33 GLY HA3 H 1 3.917 0.020 . 2 . . . A 19 GLY HA3 . 25576 1 212 . 1 1 33 33 GLY C C 13 173.520 0.400 . 1 . . . A 19 GLY C . 25576 1 213 . 1 1 33 33 GLY CA C 13 45.386 0.400 . 1 . . . A 19 GLY CA . 25576 1 214 . 1 1 33 33 GLY N N 15 109.716 0.400 . 1 . . . A 19 GLY N . 25576 1 215 . 1 1 34 34 GLU H H 1 8.227 0.020 . 1 . . . A 20 GLU H . 25576 1 216 . 1 1 34 34 GLU HA H 1 4.255 0.020 . 1 . . . A 20 GLU HA . 25576 1 217 . 1 1 34 34 GLU HB2 H 1 1.884 0.020 . 2 . . . A 20 GLU HB2 . 25576 1 218 . 1 1 34 34 GLU HB3 H 1 1.884 0.020 . 2 . . . A 20 GLU HB3 . 25576 1 219 . 1 1 34 34 GLU HG2 H 1 2.224 0.020 . 2 . . . A 20 GLU HG2 . 25576 1 220 . 1 1 34 34 GLU HG3 H 1 2.224 0.020 . 2 . . . A 20 GLU HG3 . 25576 1 221 . 1 1 34 34 GLU C C 13 175.453 0.400 . 1 . . . A 20 GLU C . 25576 1 222 . 1 1 34 34 GLU CA C 13 56.726 0.400 . 1 . . . A 20 GLU CA . 25576 1 223 . 1 1 34 34 GLU CB C 13 30.806 0.400 . 1 . . . A 20 GLU CB . 25576 1 224 . 1 1 34 34 GLU CG C 13 36.253 0.400 . 1 . . . A 20 GLU CG . 25576 1 225 . 1 1 34 34 GLU N N 15 119.640 0.400 . 1 . . . A 20 GLU N . 25576 1 226 . 1 1 35 35 TYR H H 1 8.367 0.020 . 1 . . . A 21 TYR H . 25576 1 227 . 1 1 35 35 TYR HA H 1 5.083 0.020 . 1 . . . A 21 TYR HA . 25576 1 228 . 1 1 35 35 TYR HB2 H 1 2.810 0.020 . 1 . . . A 21 TYR HB2 . 25576 1 229 . 1 1 35 35 TYR HB3 H 1 2.564 0.020 . 1 . . . A 21 TYR HB3 . 25576 1 230 . 1 1 35 35 TYR HD1 H 1 6.884 0.020 . 1 . . . A 21 TYR HD1 . 25576 1 231 . 1 1 35 35 TYR HD2 H 1 6.884 0.020 . 1 . . . A 21 TYR HD2 . 25576 1 232 . 1 1 35 35 TYR HE1 H 1 6.771 0.020 . 1 . . . A 21 TYR HE1 . 25576 1 233 . 1 1 35 35 TYR HE2 H 1 6.771 0.020 . 1 . . . A 21 TYR HE2 . 25576 1 234 . 1 1 35 35 TYR C C 13 175.805 0.400 . 1 . . . A 21 TYR C . 25576 1 235 . 1 1 35 35 TYR CA C 13 57.427 0.400 . 1 . . . A 21 TYR CA . 25576 1 236 . 1 1 35 35 TYR CB C 13 41.620 0.400 . 1 . . . A 21 TYR CB . 25576 1 237 . 1 1 35 35 TYR CD1 C 13 133.327 0.400 . 1 . . . A 21 TYR CD1 . 25576 1 238 . 1 1 35 35 TYR CD2 C 13 133.298 0.400 . 1 . . . A 21 TYR CD2 . 25576 1 239 . 1 1 35 35 TYR CE1 C 13 118.245 0.400 . 1 . . . A 21 TYR CE1 . 25576 1 240 . 1 1 35 35 TYR CE2 C 13 118.245 0.400 . 1 . . . A 21 TYR CE2 . 25576 1 241 . 1 1 35 35 TYR N N 15 119.301 0.400 . 1 . . . A 21 TYR N . 25576 1 242 . 1 1 36 36 ILE H H 1 9.151 0.020 . 1 . . . A 22 ILE H . 25576 1 243 . 1 1 36 36 ILE HA H 1 4.787 0.020 . 1 . . . A 22 ILE HA . 25576 1 244 . 1 1 36 36 ILE HB H 1 1.637 0.020 . 1 . . . A 22 ILE HB . 25576 1 245 . 1 1 36 36 ILE HG12 H 1 1.323 0.020 . 1 . . . A 22 ILE HG12 . 25576 1 246 . 1 1 36 36 ILE HG13 H 1 0.864 0.020 . 1 . . . A 22 ILE HG13 . 25576 1 247 . 1 1 36 36 ILE HG21 H 1 0.831 0.020 . 1 . . . A 22 ILE HG21 . 25576 1 248 . 1 1 36 36 ILE HG22 H 1 0.831 0.020 . 1 . . . A 22 ILE HG22 . 25576 1 249 . 1 1 36 36 ILE HG23 H 1 0.831 0.020 . 1 . . . A 22 ILE HG23 . 25576 1 250 . 1 1 36 36 ILE HD11 H 1 0.472 0.020 . 1 . . . A 22 ILE HD11 . 25576 1 251 . 1 1 36 36 ILE HD12 H 1 0.472 0.020 . 1 . . . A 22 ILE HD12 . 25576 1 252 . 1 1 36 36 ILE HD13 H 1 0.472 0.020 . 1 . . . A 22 ILE HD13 . 25576 1 253 . 1 1 36 36 ILE C C 13 173.467 0.400 . 1 . . . A 22 ILE C . 25576 1 254 . 1 1 36 36 ILE CA C 13 59.685 0.400 . 1 . . . A 22 ILE CA . 25576 1 255 . 1 1 36 36 ILE CB C 13 42.383 0.400 . 1 . . . A 22 ILE CB . 25576 1 256 . 1 1 36 36 ILE CG1 C 13 26.129 0.400 . 1 . . . A 22 ILE CG1 . 25576 1 257 . 1 1 36 36 ILE CG2 C 13 18.064 0.400 . 1 . . . A 22 ILE CG2 . 25576 1 258 . 1 1 36 36 ILE CD1 C 13 14.742 0.400 . 1 . . . A 22 ILE CD1 . 25576 1 259 . 1 1 36 36 ILE N N 15 116.642 0.400 . 1 . . . A 22 ILE N . 25576 1 260 . 1 1 37 37 LYS H H 1 8.623 0.020 . 1 . . . A 23 LYS H . 25576 1 261 . 1 1 37 37 LYS HA H 1 5.289 0.020 . 1 . . . A 23 LYS HA . 25576 1 262 . 1 1 37 37 LYS HB2 H 1 1.685 0.020 . 2 . . . A 23 LYS HB2 . 25576 1 263 . 1 1 37 37 LYS HB3 H 1 1.574 0.020 . 2 . . . A 23 LYS HB3 . 25576 1 264 . 1 1 37 37 LYS HG2 H 1 1.129 0.020 . 2 . . . A 23 LYS HG2 . 25576 1 265 . 1 1 37 37 LYS HG3 H 1 1.129 0.020 . 2 . . . A 23 LYS HG3 . 25576 1 266 . 1 1 37 37 LYS HD2 H 1 1.580 0.020 . 2 . . . A 23 LYS HD2 . 25576 1 267 . 1 1 37 37 LYS HD3 H 1 1.580 0.020 . 2 . . . A 23 LYS HD3 . 25576 1 268 . 1 1 37 37 LYS HE2 H 1 2.756 0.020 . 2 . . . A 23 LYS HE2 . 25576 1 269 . 1 1 37 37 LYS HE3 H 1 2.756 0.020 . 2 . . . A 23 LYS HE3 . 25576 1 270 . 1 1 37 37 LYS C C 13 175.553 0.400 . 1 . . . A 23 LYS C . 25576 1 271 . 1 1 37 37 LYS CA C 13 55.629 0.400 . 1 . . . A 23 LYS CA . 25576 1 272 . 1 1 37 37 LYS CB C 13 33.744 0.400 . 1 . . . A 23 LYS CB . 25576 1 273 . 1 1 37 37 LYS CG C 13 25.310 0.400 . 1 . . . A 23 LYS CG . 25576 1 274 . 1 1 37 37 LYS CD C 13 29.391 0.400 . 1 . . . A 23 LYS CD . 25576 1 275 . 1 1 37 37 LYS CE C 13 41.224 0.400 . 1 . . . A 23 LYS CE . 25576 1 276 . 1 1 37 37 LYS N N 15 124.306 0.400 . 1 . . . A 23 LYS N . 25576 1 277 . 1 1 38 38 LEU H H 1 8.940 0.020 . 1 . . . A 24 LEU H . 25576 1 278 . 1 1 38 38 LEU HA H 1 4.974 0.020 . 1 . . . A 24 LEU HA . 25576 1 279 . 1 1 38 38 LEU HB2 H 1 1.428 0.020 . 1 . . . A 24 LEU HB2 . 25576 1 280 . 1 1 38 38 LEU HB3 H 1 1.194 0.020 . 1 . . . A 24 LEU HB3 . 25576 1 281 . 1 1 38 38 LEU HG H 1 0.617 0.020 . 1 . . . A 24 LEU HG . 25576 1 282 . 1 1 38 38 LEU HD11 H 1 0.812 0.020 . 2 . . . A 24 LEU HD11 . 25576 1 283 . 1 1 38 38 LEU HD12 H 1 0.812 0.020 . 2 . . . A 24 LEU HD12 . 25576 1 284 . 1 1 38 38 LEU HD13 H 1 0.812 0.020 . 2 . . . A 24 LEU HD13 . 25576 1 285 . 1 1 38 38 LEU HD21 H 1 0.812 0.020 . 2 . . . A 24 LEU HD21 . 25576 1 286 . 1 1 38 38 LEU HD22 H 1 0.812 0.020 . 2 . . . A 24 LEU HD22 . 25576 1 287 . 1 1 38 38 LEU HD23 H 1 0.812 0.020 . 2 . . . A 24 LEU HD23 . 25576 1 288 . 1 1 38 38 LEU C C 13 175.910 0.400 . 1 . . . A 24 LEU C . 25576 1 289 . 1 1 38 38 LEU CA C 13 52.835 0.400 . 1 . . . A 24 LEU CA . 25576 1 290 . 1 1 38 38 LEU CB C 13 46.661 0.400 . 1 . . . A 24 LEU CB . 25576 1 291 . 1 1 38 38 LEU CG C 13 26.611 0.400 . 1 . . . A 24 LEU CG . 25576 1 292 . 1 1 38 38 LEU CD1 C 13 24.096 0.400 . 1 . . . A 24 LEU CD1 . 25576 1 293 . 1 1 38 38 LEU CD2 C 13 24.096 0.400 . 1 . . . A 24 LEU CD2 . 25576 1 294 . 1 1 38 38 LEU N N 15 124.177 0.400 . 1 . . . A 24 LEU N . 25576 1 295 . 1 1 39 39 LYS H H 1 8.621 0.020 . 1 . . . A 25 LYS H . 25576 1 296 . 1 1 39 39 LYS HA H 1 4.714 0.020 . 1 . . . A 25 LYS HA . 25576 1 297 . 1 1 39 39 LYS HB2 H 1 1.570 0.020 . 1 . . . A 25 LYS HB2 . 25576 1 298 . 1 1 39 39 LYS HB3 H 1 1.429 0.020 . 1 . . . A 25 LYS HB3 . 25576 1 299 . 1 1 39 39 LYS HG2 H 1 0.927 0.020 . 1 . . . A 25 LYS HG2 . 25576 1 300 . 1 1 39 39 LYS HG3 H 1 0.755 0.020 . 1 . . . A 25 LYS HG3 . 25576 1 301 . 1 1 39 39 LYS HD2 H 1 1.557 0.020 . 2 . . . A 25 LYS HD2 . 25576 1 302 . 1 1 39 39 LYS HD3 H 1 1.557 0.020 . 2 . . . A 25 LYS HD3 . 25576 1 303 . 1 1 39 39 LYS HE2 H 1 2.763 0.020 . 2 . . . A 25 LYS HE2 . 25576 1 304 . 1 1 39 39 LYS HE3 H 1 2.763 0.020 . 2 . . . A 25 LYS HE3 . 25576 1 305 . 1 1 39 39 LYS C C 13 174.125 0.400 . 1 . . . A 25 LYS C . 25576 1 306 . 1 1 39 39 LYS CA C 13 55.122 0.400 . 1 . . . A 25 LYS CA . 25576 1 307 . 1 1 39 39 LYS CB C 13 34.919 0.400 . 1 . . . A 25 LYS CB . 25576 1 308 . 1 1 39 39 LYS CG C 13 25.100 0.400 . 1 . . . A 25 LYS CG . 25576 1 309 . 1 1 39 39 LYS CD C 13 29.479 0.400 . 1 . . . A 25 LYS CD . 25576 1 310 . 1 1 39 39 LYS CE C 13 41.666 0.400 . 1 . . . A 25 LYS CE . 25576 1 311 . 1 1 39 39 LYS N N 15 120.635 0.400 . 1 . . . A 25 LYS N . 25576 1 312 . 1 1 40 40 VAL H H 1 9.113 0.020 . 1 . . . A 26 VAL H . 25576 1 313 . 1 1 40 40 VAL HA H 1 5.043 0.020 . 1 . . . A 26 VAL HA . 25576 1 314 . 1 1 40 40 VAL HB H 1 2.216 0.020 . 1 . . . A 26 VAL HB . 25576 1 315 . 1 1 40 40 VAL HG11 H 1 0.878 0.020 . 2 . . . A 26 VAL HG11 . 25576 1 316 . 1 1 40 40 VAL HG12 H 1 0.878 0.020 . 2 . . . A 26 VAL HG12 . 25576 1 317 . 1 1 40 40 VAL HG13 H 1 0.878 0.020 . 2 . . . A 26 VAL HG13 . 25576 1 318 . 1 1 40 40 VAL HG21 H 1 0.331 0.020 . 2 . . . A 26 VAL HG21 . 25576 1 319 . 1 1 40 40 VAL HG22 H 1 0.331 0.020 . 2 . . . A 26 VAL HG22 . 25576 1 320 . 1 1 40 40 VAL HG23 H 1 0.331 0.020 . 2 . . . A 26 VAL HG23 . 25576 1 321 . 1 1 40 40 VAL C C 13 176.195 0.400 . 1 . . . A 26 VAL C . 25576 1 322 . 1 1 40 40 VAL CA C 13 61.193 0.400 . 1 . . . A 26 VAL CA . 25576 1 323 . 1 1 40 40 VAL CB C 13 32.270 0.400 . 1 . . . A 26 VAL CB . 25576 1 324 . 1 1 40 40 VAL CG1 C 13 22.367 0.400 . 1 . . . A 26 VAL CG1 . 25576 1 325 . 1 1 40 40 VAL CG2 C 13 23.077 0.400 . 1 . . . A 26 VAL CG2 . 25576 1 326 . 1 1 40 40 VAL N N 15 124.130 0.400 . 1 . . . A 26 VAL N . 25576 1 327 . 1 1 41 41 ILE H H 1 9.063 0.020 . 1 . . . A 27 ILE H . 25576 1 328 . 1 1 41 41 ILE HA H 1 5.012 0.020 . 1 . . . A 27 ILE HA . 25576 1 329 . 1 1 41 41 ILE HB H 1 1.737 0.020 . 1 . . . A 27 ILE HB . 25576 1 330 . 1 1 41 41 ILE HG12 H 1 1.058 0.020 . 2 . . . A 27 ILE HG12 . 25576 1 331 . 1 1 41 41 ILE HG13 H 1 1.058 0.020 . 2 . . . A 27 ILE HG13 . 25576 1 332 . 1 1 41 41 ILE HG21 H 1 0.941 0.020 . 1 . . . A 27 ILE HG21 . 25576 1 333 . 1 1 41 41 ILE HG22 H 1 0.941 0.020 . 1 . . . A 27 ILE HG22 . 25576 1 334 . 1 1 41 41 ILE HG23 H 1 0.941 0.020 . 1 . . . A 27 ILE HG23 . 25576 1 335 . 1 1 41 41 ILE HD11 H 1 0.840 0.020 . 1 . . . A 27 ILE HD11 . 25576 1 336 . 1 1 41 41 ILE HD12 H 1 0.840 0.020 . 1 . . . A 27 ILE HD12 . 25576 1 337 . 1 1 41 41 ILE HD13 H 1 0.840 0.020 . 1 . . . A 27 ILE HD13 . 25576 1 338 . 1 1 41 41 ILE C C 13 175.976 0.400 . 1 . . . A 27 ILE C . 25576 1 339 . 1 1 41 41 ILE CA C 13 59.910 0.400 . 1 . . . A 27 ILE CA . 25576 1 340 . 1 1 41 41 ILE CB C 13 39.851 0.400 . 1 . . . A 27 ILE CB . 25576 1 341 . 1 1 41 41 ILE CG1 C 13 27.428 0.400 . 1 . . . A 27 ILE CG1 . 25576 1 342 . 1 1 41 41 ILE CG2 C 13 16.977 0.400 . 1 . . . A 27 ILE CG2 . 25576 1 343 . 1 1 41 41 ILE CD1 C 13 13.424 0.400 . 1 . . . A 27 ILE CD1 . 25576 1 344 . 1 1 41 41 ILE N N 15 128.245 0.400 . 1 . . . A 27 ILE N . 25576 1 345 . 1 1 42 42 GLY H H 1 8.485 0.020 . 1 . . . A 28 GLY H . 25576 1 346 . 1 1 42 42 GLY HA2 H 1 3.698 0.020 . 2 . . . A 28 GLY HA2 . 25576 1 347 . 1 1 42 42 GLY HA3 H 1 3.698 0.020 . 2 . . . A 28 GLY HA3 . 25576 1 348 . 1 1 42 42 GLY C C 13 175.505 0.400 . 1 . . . A 28 GLY C . 25576 1 349 . 1 1 42 42 GLY CA C 13 43.958 0.400 . 1 . . . A 28 GLY CA . 25576 1 350 . 1 1 42 42 GLY N N 15 113.332 0.400 . 1 . . . A 28 GLY N . 25576 1 351 . 1 1 43 43 GLN H H 1 8.768 0.020 . 1 . . . A 29 GLN H . 25576 1 352 . 1 1 43 43 GLN HA H 1 4.113 0.020 . 1 . . . A 29 GLN HA . 25576 1 353 . 1 1 43 43 GLN HB2 H 1 2.058 0.020 . 1 . . . A 29 GLN HB2 . 25576 1 354 . 1 1 43 43 GLN HB3 H 1 2.166 0.020 . 1 . . . A 29 GLN HB3 . 25576 1 355 . 1 1 43 43 GLN HG2 H 1 2.386 0.020 . 2 . . . A 29 GLN HG2 . 25576 1 356 . 1 1 43 43 GLN HG3 H 1 2.386 0.020 . 2 . . . A 29 GLN HG3 . 25576 1 357 . 1 1 43 43 GLN HE21 H 1 7.655 0.020 . 1 . . . A 29 GLN HE21 . 25576 1 358 . 1 1 43 43 GLN HE22 H 1 7.007 0.020 . 1 . . . A 29 GLN HE22 . 25576 1 359 . 1 1 43 43 GLN C C 13 176.003 0.400 . 1 . . . A 29 GLN C . 25576 1 360 . 1 1 43 43 GLN CA C 13 57.808 0.400 . 1 . . . A 29 GLN CA . 25576 1 361 . 1 1 43 43 GLN CB C 13 28.735 0.400 . 1 . . . A 29 GLN CB . 25576 1 362 . 1 1 43 43 GLN CG C 13 34.578 0.400 . 1 . . . A 29 GLN CG . 25576 1 363 . 1 1 43 43 GLN N N 15 120.493 0.400 . 1 . . . A 29 GLN N . 25576 1 364 . 1 1 43 43 GLN NE2 N 15 114.126 0.400 . 1 . . . A 29 GLN NE2 . 25576 1 365 . 1 1 44 44 ASP H H 1 8.335 0.020 . 1 . . . A 30 ASP H . 25576 1 366 . 1 1 44 44 ASP HA H 1 4.537 0.020 . 1 . . . A 30 ASP HA . 25576 1 367 . 1 1 44 44 ASP HB2 H 1 2.981 0.020 . 1 . . . A 30 ASP HB2 . 25576 1 368 . 1 1 44 44 ASP HB3 H 1 2.610 0.020 . 1 . . . A 30 ASP HB3 . 25576 1 369 . 1 1 44 44 ASP C C 13 176.461 0.400 . 1 . . . A 30 ASP C . 25576 1 370 . 1 1 44 44 ASP CA C 13 53.271 0.400 . 1 . . . A 30 ASP CA . 25576 1 371 . 1 1 44 44 ASP CB C 13 39.867 0.400 . 1 . . . A 30 ASP CB . 25576 1 372 . 1 1 44 44 ASP N N 15 118.342 0.400 . 1 . . . A 30 ASP N . 25576 1 373 . 1 1 45 45 SER H H 1 7.997 0.020 . 1 . . . A 31 SER H . 25576 1 374 . 1 1 45 45 SER HA H 1 4.044 0.020 . 1 . . . A 31 SER HA . 25576 1 375 . 1 1 45 45 SER HB2 H 1 3.995 0.020 . 2 . . . A 31 SER HB2 . 25576 1 376 . 1 1 45 45 SER HB3 H 1 3.995 0.020 . 2 . . . A 31 SER HB3 . 25576 1 377 . 1 1 45 45 SER C C 13 173.554 0.400 . 1 . . . A 31 SER C . 25576 1 378 . 1 1 45 45 SER CA C 13 60.529 0.400 . 1 . . . A 31 SER CA . 25576 1 379 . 1 1 45 45 SER CB C 13 62.268 0.400 . 1 . . . A 31 SER CB . 25576 1 380 . 1 1 45 45 SER N N 15 111.069 0.400 . 1 . . . A 31 SER N . 25576 1 381 . 1 1 46 46 SER H H 1 8.081 0.020 . 1 . . . A 32 SER H . 25576 1 382 . 1 1 46 46 SER HA H 1 4.380 0.020 . 1 . . . A 32 SER HA . 25576 1 383 . 1 1 46 46 SER HB2 H 1 3.873 0.020 . 1 . . . A 32 SER HB2 . 25576 1 384 . 1 1 46 46 SER HB3 H 1 3.785 0.020 . 1 . . . A 32 SER HB3 . 25576 1 385 . 1 1 46 46 SER C C 13 173.550 0.400 . 1 . . . A 32 SER C . 25576 1 386 . 1 1 46 46 SER CA C 13 58.590 0.400 . 1 . . . A 32 SER CA . 25576 1 387 . 1 1 46 46 SER CB C 13 64.008 0.400 . 1 . . . A 32 SER CB . 25576 1 388 . 1 1 46 46 SER N N 15 117.489 0.400 . 1 . . . A 32 SER N . 25576 1 389 . 1 1 47 47 GLU H H 1 8.616 0.020 . 1 . . . A 33 GLU H . 25576 1 390 . 1 1 47 47 GLU HA H 1 5.131 0.020 . 1 . . . A 33 GLU HA . 25576 1 391 . 1 1 47 47 GLU HB2 H 1 1.923 0.020 . 1 . . . A 33 GLU HB2 . 25576 1 392 . 1 1 47 47 GLU HB3 H 1 1.784 0.020 . 1 . . . A 33 GLU HB3 . 25576 1 393 . 1 1 47 47 GLU HG2 H 1 2.263 0.020 . 2 . . . A 33 GLU HG2 . 25576 1 394 . 1 1 47 47 GLU HG3 H 1 2.263 0.020 . 2 . . . A 33 GLU HG3 . 25576 1 395 . 1 1 47 47 GLU C C 13 175.317 0.400 . 1 . . . A 33 GLU C . 25576 1 396 . 1 1 47 47 GLU CA C 13 55.212 0.400 . 1 . . . A 33 GLU CA . 25576 1 397 . 1 1 47 47 GLU CB C 13 32.596 0.400 . 1 . . . A 33 GLU CB . 25576 1 398 . 1 1 47 47 GLU CG C 13 36.053 0.400 . 1 . . . A 33 GLU CG . 25576 1 399 . 1 1 47 47 GLU N N 15 121.738 0.400 . 1 . . . A 33 GLU N . 25576 1 400 . 1 1 48 48 ILE H H 1 8.670 0.020 . 1 . . . A 34 ILE H . 25576 1 401 . 1 1 48 48 ILE HA H 1 4.359 0.020 . 1 . . . A 34 ILE HA . 25576 1 402 . 1 1 48 48 ILE HB H 1 1.851 0.020 . 1 . . . A 34 ILE HB . 25576 1 403 . 1 1 48 48 ILE HG12 H 1 1.156 0.020 . 2 . . . A 34 ILE HG12 . 25576 1 404 . 1 1 48 48 ILE HG13 H 1 1.156 0.020 . 2 . . . A 34 ILE HG13 . 25576 1 405 . 1 1 48 48 ILE HG21 H 1 0.647 0.020 . 1 . . . A 34 ILE HG21 . 25576 1 406 . 1 1 48 48 ILE HG22 H 1 0.647 0.020 . 1 . . . A 34 ILE HG22 . 25576 1 407 . 1 1 48 48 ILE HG23 H 1 0.647 0.020 . 1 . . . A 34 ILE HG23 . 25576 1 408 . 1 1 48 48 ILE HD11 H 1 0.761 0.020 . 1 . . . A 34 ILE HD11 . 25576 1 409 . 1 1 48 48 ILE HD12 H 1 0.761 0.020 . 1 . . . A 34 ILE HD12 . 25576 1 410 . 1 1 48 48 ILE HD13 H 1 0.761 0.020 . 1 . . . A 34 ILE HD13 . 25576 1 411 . 1 1 48 48 ILE C C 13 174.612 0.400 . 1 . . . A 34 ILE C . 25576 1 412 . 1 1 48 48 ILE CA C 13 60.266 0.400 . 1 . . . A 34 ILE CA . 25576 1 413 . 1 1 48 48 ILE CB C 13 40.906 0.400 . 1 . . . A 34 ILE CB . 25576 1 414 . 1 1 48 48 ILE CG1 C 13 27.456 0.400 . 1 . . . A 34 ILE CG1 . 25576 1 415 . 1 1 48 48 ILE CG2 C 13 18.606 0.400 . 1 . . . A 34 ILE CG2 . 25576 1 416 . 1 1 48 48 ILE CD1 C 13 12.821 0.400 . 1 . . . A 34 ILE CD1 . 25576 1 417 . 1 1 48 48 ILE N N 15 124.389 0.400 . 1 . . . A 34 ILE N . 25576 1 418 . 1 1 49 49 HIS H H 1 8.699 0.020 . 1 . . . A 35 HIS H . 25576 1 419 . 1 1 49 49 HIS HA H 1 5.597 0.020 . 1 . . . A 35 HIS HA . 25576 1 420 . 1 1 49 49 HIS HB2 H 1 3.020 0.020 . 1 . . . A 35 HIS HB2 . 25576 1 421 . 1 1 49 49 HIS HB3 H 1 2.850 0.020 . 1 . . . A 35 HIS HB3 . 25576 1 422 . 1 1 49 49 HIS HD2 H 1 6.696 0.020 . 1 . . . A 35 HIS HD2 . 25576 1 423 . 1 1 49 49 HIS HE1 H 1 8.020 0.020 . 1 . . . A 35 HIS HE1 . 25576 1 424 . 1 1 49 49 HIS C C 13 174.902 0.400 . 1 . . . A 35 HIS C . 25576 1 425 . 1 1 49 49 HIS CA C 13 54.765 0.400 . 1 . . . A 35 HIS CA . 25576 1 426 . 1 1 49 49 HIS CB C 13 32.411 0.400 . 1 . . . A 35 HIS CB . 25576 1 427 . 1 1 49 49 HIS CD2 C 13 117.183 0.400 . 1 . . . A 35 HIS CD2 . 25576 1 428 . 1 1 49 49 HIS CE1 C 13 137.710 0.400 . 1 . . . A 35 HIS CE1 . 25576 1 429 . 1 1 49 49 HIS N N 15 125.683 0.400 . 1 . . . A 35 HIS N . 25576 1 430 . 1 1 50 50 PHE H H 1 9.103 0.020 . 1 . . . A 36 PHE H . 25576 1 431 . 1 1 50 50 PHE HA H 1 4.949 0.020 . 1 . . . A 36 PHE HA . 25576 1 432 . 1 1 50 50 PHE HB2 H 1 2.946 0.020 . 1 . . . A 36 PHE HB2 . 25576 1 433 . 1 1 50 50 PHE HB3 H 1 2.506 0.020 . 1 . . . A 36 PHE HB3 . 25576 1 434 . 1 1 50 50 PHE HD1 H 1 7.226 0.020 . 1 . . . A 36 PHE HD1 . 25576 1 435 . 1 1 50 50 PHE HD2 H 1 7.226 0.020 . 1 . . . A 36 PHE HD2 . 25576 1 436 . 1 1 50 50 PHE HE1 H 1 7.226 0.020 . 1 . . . A 36 PHE HE1 . 25576 1 437 . 1 1 50 50 PHE HE2 H 1 7.292 0.020 . 1 . . . A 36 PHE HE2 . 25576 1 438 . 1 1 50 50 PHE C C 13 174.000 0.400 . 1 . . . A 36 PHE C . 25576 1 439 . 1 1 50 50 PHE CA C 13 57.003 0.400 . 1 . . . A 36 PHE CA . 25576 1 440 . 1 1 50 50 PHE CB C 13 44.431 0.400 . 1 . . . A 36 PHE CB . 25576 1 441 . 1 1 50 50 PHE CD1 C 13 132.080 0.400 . 1 . . . A 36 PHE CD1 . 25576 1 442 . 1 1 50 50 PHE CD2 C 13 132.080 0.400 . 1 . . . A 36 PHE CD2 . 25576 1 443 . 1 1 50 50 PHE CE1 C 13 131.840 0.400 . 1 . . . A 36 PHE CE1 . 25576 1 444 . 1 1 50 50 PHE CE2 C 13 131.783 0.400 . 1 . . . A 36 PHE CE2 . 25576 1 445 . 1 1 50 50 PHE N N 15 119.920 0.400 . 1 . . . A 36 PHE N . 25576 1 446 . 1 1 51 51 LYS H H 1 8.787 0.020 . 1 . . . A 37 LYS H . 25576 1 447 . 1 1 51 51 LYS HA H 1 4.294 0.020 . 1 . . . A 37 LYS HA . 25576 1 448 . 1 1 51 51 LYS HB2 H 1 1.769 0.020 . 2 . . . A 37 LYS HB2 . 25576 1 449 . 1 1 51 51 LYS HB3 H 1 1.769 0.020 . 2 . . . A 37 LYS HB3 . 25576 1 450 . 1 1 51 51 LYS HG2 H 1 1.401 0.020 . 2 . . . A 37 LYS HG2 . 25576 1 451 . 1 1 51 51 LYS HG3 H 1 1.401 0.020 . 2 . . . A 37 LYS HG3 . 25576 1 452 . 1 1 51 51 LYS HD2 H 1 1.405 0.020 . 2 . . . A 37 LYS HD2 . 25576 1 453 . 1 1 51 51 LYS HD3 H 1 1.405 0.020 . 2 . . . A 37 LYS HD3 . 25576 1 454 . 1 1 51 51 LYS HE2 H 1 2.793 0.020 . 2 . . . A 37 LYS HE2 . 25576 1 455 . 1 1 51 51 LYS HE3 H 1 2.793 0.020 . 2 . . . A 37 LYS HE3 . 25576 1 456 . 1 1 51 51 LYS C C 13 176.145 0.400 . 1 . . . A 37 LYS C . 25576 1 457 . 1 1 51 51 LYS CA C 13 55.448 0.400 . 1 . . . A 37 LYS CA . 25576 1 458 . 1 1 51 51 LYS CB C 13 33.467 0.400 . 1 . . . A 37 LYS CB . 25576 1 459 . 1 1 51 51 LYS CG C 13 25.516 0.400 . 1 . . . A 37 LYS CG . 25576 1 460 . 1 1 51 51 LYS CD C 13 29.527 0.400 . 1 . . . A 37 LYS CD . 25576 1 461 . 1 1 51 51 LYS CE C 13 42.053 0.400 . 1 . . . A 37 LYS CE . 25576 1 462 . 1 1 51 51 LYS N N 15 123.747 0.400 . 1 . . . A 37 LYS N . 25576 1 463 . 1 1 52 52 VAL H H 1 9.138 0.020 . 1 . . . A 38 VAL H . 25576 1 464 . 1 1 52 52 VAL HA H 1 4.957 0.020 . 1 . . . A 38 VAL HA . 25576 1 465 . 1 1 52 52 VAL HB H 1 2.130 0.020 . 1 . . . A 38 VAL HB . 25576 1 466 . 1 1 52 52 VAL HG11 H 1 0.876 0.020 . 2 . . . A 38 VAL HG11 . 25576 1 467 . 1 1 52 52 VAL HG12 H 1 0.876 0.020 . 2 . . . A 38 VAL HG12 . 25576 1 468 . 1 1 52 52 VAL HG13 H 1 0.876 0.020 . 2 . . . A 38 VAL HG13 . 25576 1 469 . 1 1 52 52 VAL HG21 H 1 0.722 0.020 . 2 . . . A 38 VAL HG21 . 25576 1 470 . 1 1 52 52 VAL HG22 H 1 0.722 0.020 . 2 . . . A 38 VAL HG22 . 25576 1 471 . 1 1 52 52 VAL HG23 H 1 0.722 0.020 . 2 . . . A 38 VAL HG23 . 25576 1 472 . 1 1 52 52 VAL C C 13 174.245 0.400 . 1 . . . A 38 VAL C . 25576 1 473 . 1 1 52 52 VAL CA C 13 58.935 0.400 . 1 . . . A 38 VAL CA . 25576 1 474 . 1 1 52 52 VAL CB C 13 35.429 0.400 . 1 . . . A 38 VAL CB . 25576 1 475 . 1 1 52 52 VAL CG1 C 13 21.765 0.400 . 1 . . . A 38 VAL CG1 . 25576 1 476 . 1 1 52 52 VAL CG2 C 13 19.525 0.400 . 1 . . . A 38 VAL CG2 . 25576 1 477 . 1 1 52 52 VAL N N 15 119.736 0.400 . 1 . . . A 38 VAL N . 25576 1 478 . 1 1 53 53 LYS H H 1 8.611 0.020 . 1 . . . A 39 LYS H . 25576 1 479 . 1 1 53 53 LYS HA H 1 3.837 0.020 . 1 . . . A 39 LYS HA . 25576 1 480 . 1 1 53 53 LYS HB2 H 1 1.807 0.020 . 2 . . . A 39 LYS HB2 . 25576 1 481 . 1 1 53 53 LYS HB3 H 1 1.807 0.020 . 2 . . . A 39 LYS HB3 . 25576 1 482 . 1 1 53 53 LYS HG2 H 1 1.590 0.020 . 2 . . . A 39 LYS HG2 . 25576 1 483 . 1 1 53 53 LYS HG3 H 1 1.590 0.020 . 2 . . . A 39 LYS HG3 . 25576 1 484 . 1 1 53 53 LYS HD2 H 1 1.717 0.020 . 2 . . . A 39 LYS HD2 . 25576 1 485 . 1 1 53 53 LYS HD3 H 1 1.717 0.020 . 2 . . . A 39 LYS HD3 . 25576 1 486 . 1 1 53 53 LYS HE2 H 1 3.144 0.020 . 2 . . . A 39 LYS HE2 . 25576 1 487 . 1 1 53 53 LYS HE3 H 1 3.144 0.020 . 2 . . . A 39 LYS HE3 . 25576 1 488 . 1 1 53 53 LYS C C 13 179.383 0.400 . 1 . . . A 39 LYS C . 25576 1 489 . 1 1 53 53 LYS CA C 13 56.814 0.400 . 1 . . . A 39 LYS CA . 25576 1 490 . 1 1 53 53 LYS CB C 13 30.576 0.400 . 1 . . . A 39 LYS CB . 25576 1 491 . 1 1 53 53 LYS CG C 13 27.138 0.400 . 1 . . . A 39 LYS CG . 25576 1 492 . 1 1 53 53 LYS CD C 13 28.288 0.400 . 1 . . . A 39 LYS CD . 25576 1 493 . 1 1 53 53 LYS CE C 13 43.763 0.400 . 1 . . . A 39 LYS CE . 25576 1 494 . 1 1 53 53 LYS N N 15 122.359 0.400 . 1 . . . A 39 LYS N . 25576 1 495 . 1 1 54 54 MET H H 1 8.562 0.020 . 1 . . . A 40 MET H . 25576 1 496 . 1 1 54 54 MET HA H 1 4.103 0.020 . 1 . . . A 40 MET HA . 25576 1 497 . 1 1 54 54 MET HB2 H 1 1.975 0.020 . 1 . . . A 40 MET HB2 . 25576 1 498 . 1 1 54 54 MET HB3 H 1 2.074 0.020 . 1 . . . A 40 MET HB3 . 25576 1 499 . 1 1 54 54 MET HG2 H 1 2.454 0.020 . 2 . . . A 40 MET HG2 . 25576 1 500 . 1 1 54 54 MET HG3 H 1 2.454 0.020 . 2 . . . A 40 MET HG3 . 25576 1 501 . 1 1 54 54 MET HE1 H 1 1.897 0.020 . 1 . . . A 40 MET HE1 . 25576 1 502 . 1 1 54 54 MET HE2 H 1 1.897 0.020 . 1 . . . A 40 MET HE2 . 25576 1 503 . 1 1 54 54 MET HE3 H 1 1.897 0.020 . 1 . . . A 40 MET HE3 . 25576 1 504 . 1 1 54 54 MET C C 13 176.546 0.400 . 1 . . . A 40 MET C . 25576 1 505 . 1 1 54 54 MET CA C 13 57.320 0.400 . 1 . . . A 40 MET CA . 25576 1 506 . 1 1 54 54 MET CB C 13 30.903 0.400 . 1 . . . A 40 MET CB . 25576 1 507 . 1 1 54 54 MET CG C 13 32.101 0.400 . 1 . . . A 40 MET CG . 25576 1 508 . 1 1 54 54 MET CE C 13 15.780 0.400 . 1 . . . A 40 MET CE . 25576 1 509 . 1 1 54 54 MET N N 15 119.929 0.400 . 1 . . . A 40 MET N . 25576 1 510 . 1 1 55 55 THR H H 1 6.974 0.020 . 1 . . . A 41 THR H . 25576 1 511 . 1 1 55 55 THR HA H 1 4.349 0.020 . 1 . . . A 41 THR HA . 25576 1 512 . 1 1 55 55 THR HB H 1 4.576 0.020 . 1 . . . A 41 THR HB . 25576 1 513 . 1 1 55 55 THR HG21 H 1 1.110 0.020 . 1 . . . A 41 THR HG21 . 25576 1 514 . 1 1 55 55 THR HG22 H 1 1.110 0.020 . 1 . . . A 41 THR HG22 . 25576 1 515 . 1 1 55 55 THR HG23 H 1 1.110 0.020 . 1 . . . A 41 THR HG23 . 25576 1 516 . 1 1 55 55 THR C C 13 174.506 0.400 . 1 . . . A 41 THR C . 25576 1 517 . 1 1 55 55 THR CA C 13 60.147 0.400 . 1 . . . A 41 THR CA . 25576 1 518 . 1 1 55 55 THR CB C 13 68.836 0.400 . 1 . . . A 41 THR CB . 25576 1 519 . 1 1 55 55 THR CG2 C 13 21.603 0.400 . 1 . . . A 41 THR CG2 . 25576 1 520 . 1 1 55 55 THR N N 15 100.263 0.400 . 1 . . . A 41 THR N . 25576 1 521 . 1 1 56 56 THR H H 1 7.192 0.020 . 1 . . . A 42 THR H . 25576 1 522 . 1 1 56 56 THR HA H 1 4.187 0.020 . 1 . . . A 42 THR HA . 25576 1 523 . 1 1 56 56 THR HB H 1 3.953 0.020 . 1 . . . A 42 THR HB . 25576 1 524 . 1 1 56 56 THR HG21 H 1 1.364 0.020 . 1 . . . A 42 THR HG21 . 25576 1 525 . 1 1 56 56 THR HG22 H 1 1.364 0.020 . 1 . . . A 42 THR HG22 . 25576 1 526 . 1 1 56 56 THR HG23 H 1 1.364 0.020 . 1 . . . A 42 THR HG23 . 25576 1 527 . 1 1 56 56 THR C C 13 174.052 0.400 . 1 . . . A 42 THR C . 25576 1 528 . 1 1 56 56 THR CA C 13 63.153 0.400 . 1 . . . A 42 THR CA . 25576 1 529 . 1 1 56 56 THR CB C 13 69.645 0.400 . 1 . . . A 42 THR CB . 25576 1 530 . 1 1 56 56 THR CG2 C 13 22.327 0.400 . 1 . . . A 42 THR CG2 . 25576 1 531 . 1 1 56 56 THR N N 15 120.616 0.400 . 1 . . . A 42 THR N . 25576 1 532 . 1 1 57 57 HIS H H 1 8.807 0.020 . 1 . . . A 43 HIS H . 25576 1 533 . 1 1 57 57 HIS HA H 1 4.411 0.020 . 1 . . . A 43 HIS HA . 25576 1 534 . 1 1 57 57 HIS HB2 H 1 3.176 0.020 . 1 . . . A 43 HIS HB2 . 25576 1 535 . 1 1 57 57 HIS HB3 H 1 3.064 0.020 . 1 . . . A 43 HIS HB3 . 25576 1 536 . 1 1 57 57 HIS HD2 H 1 6.912 0.020 . 1 . . . A 43 HIS HD2 . 25576 1 537 . 1 1 57 57 HIS HE1 H 1 8.048 0.020 . 1 . . . A 43 HIS HE1 . 25576 1 538 . 1 1 57 57 HIS C C 13 178.431 0.400 . 1 . . . A 43 HIS C . 25576 1 539 . 1 1 57 57 HIS CA C 13 57.366 0.400 . 1 . . . A 43 HIS CA . 25576 1 540 . 1 1 57 57 HIS CB C 13 30.155 0.400 . 1 . . . A 43 HIS CB . 25576 1 541 . 1 1 57 57 HIS CD2 C 13 118.138 0.400 . 1 . . . A 43 HIS CD2 . 25576 1 542 . 1 1 57 57 HIS CE1 C 13 137.619 0.400 . 1 . . . A 43 HIS CE1 . 25576 1 543 . 1 1 57 57 HIS N N 15 126.236 0.400 . 1 . . . A 43 HIS N . 25576 1 544 . 1 1 58 58 LEU H H 1 9.349 0.020 . 1 . . . A 44 LEU H . 25576 1 545 . 1 1 58 58 LEU HA H 1 3.983 0.020 . 1 . . . A 44 LEU HA . 25576 1 546 . 1 1 58 58 LEU HB2 H 1 1.708 0.020 . 2 . . . A 44 LEU HB2 . 25576 1 547 . 1 1 58 58 LEU HB3 H 1 1.708 0.020 . 2 . . . A 44 LEU HB3 . 25576 1 548 . 1 1 58 58 LEU HG H 1 1.651 0.020 . 1 . . . A 44 LEU HG . 25576 1 549 . 1 1 58 58 LEU HD11 H 1 0.691 0.020 . 2 . . . A 44 LEU HD11 . 25576 1 550 . 1 1 58 58 LEU HD12 H 1 0.691 0.020 . 2 . . . A 44 LEU HD12 . 25576 1 551 . 1 1 58 58 LEU HD13 H 1 0.691 0.020 . 2 . . . A 44 LEU HD13 . 25576 1 552 . 1 1 58 58 LEU HD21 H 1 0.691 0.020 . 2 . . . A 44 LEU HD21 . 25576 1 553 . 1 1 58 58 LEU HD22 H 1 0.691 0.020 . 2 . . . A 44 LEU HD22 . 25576 1 554 . 1 1 58 58 LEU HD23 H 1 0.691 0.020 . 2 . . . A 44 LEU HD23 . 25576 1 555 . 1 1 58 58 LEU C C 13 177.051 0.400 . 1 . . . A 44 LEU C . 25576 1 556 . 1 1 58 58 LEU CA C 13 58.790 0.400 . 1 . . . A 44 LEU CA . 25576 1 557 . 1 1 58 58 LEU CB C 13 41.240 0.400 . 1 . . . A 44 LEU CB . 25576 1 558 . 1 1 58 58 LEU CG C 13 26.151 0.400 . 1 . . . A 44 LEU CG . 25576 1 559 . 1 1 58 58 LEU CD1 C 13 23.965 0.400 . 1 . . . A 44 LEU CD1 . 25576 1 560 . 1 1 58 58 LEU CD2 C 13 23.965 0.400 . 1 . . . A 44 LEU CD2 . 25576 1 561 . 1 1 58 58 LEU N N 15 124.757 0.400 . 1 . . . A 44 LEU N . 25576 1 562 . 1 1 59 59 LYS H H 1 8.543 0.020 . 1 . . . A 45 LYS H . 25576 1 563 . 1 1 59 59 LYS HA H 1 3.584 0.020 . 1 . . . A 45 LYS HA . 25576 1 564 . 1 1 59 59 LYS HB2 H 1 1.973 0.020 . 1 . . . A 45 LYS HB2 . 25576 1 565 . 1 1 59 59 LYS HB3 H 1 1.506 0.020 . 1 . . . A 45 LYS HB3 . 25576 1 566 . 1 1 59 59 LYS HG2 H 1 1.161 0.020 . 1 . . . A 45 LYS HG2 . 25576 1 567 . 1 1 59 59 LYS HG3 H 1 1.278 0.020 . 1 . . . A 45 LYS HG3 . 25576 1 568 . 1 1 59 59 LYS HD2 H 1 1.529 0.020 . 2 . . . A 45 LYS HD2 . 25576 1 569 . 1 1 59 59 LYS HD3 H 1 1.529 0.020 . 2 . . . A 45 LYS HD3 . 25576 1 570 . 1 1 59 59 LYS HE2 H 1 2.884 0.020 . 2 . . . A 45 LYS HE2 . 25576 1 571 . 1 1 59 59 LYS HE3 H 1 2.884 0.020 . 2 . . . A 45 LYS HE3 . 25576 1 572 . 1 1 59 59 LYS C C 13 176.867 0.400 . 1 . . . A 45 LYS C . 25576 1 573 . 1 1 59 59 LYS CA C 13 60.662 0.400 . 1 . . . A 45 LYS CA . 25576 1 574 . 1 1 59 59 LYS CB C 13 33.389 0.400 . 1 . . . A 45 LYS CB . 25576 1 575 . 1 1 59 59 LYS CG C 13 24.730 0.400 . 1 . . . A 45 LYS CG . 25576 1 576 . 1 1 59 59 LYS CD C 13 29.804 0.400 . 1 . . . A 45 LYS CD . 25576 1 577 . 1 1 59 59 LYS CE C 13 42.162 0.400 . 1 . . . A 45 LYS CE . 25576 1 578 . 1 1 59 59 LYS N N 15 121.424 0.400 . 1 . . . A 45 LYS N . 25576 1 579 . 1 1 60 60 LYS H H 1 7.517 0.020 . 1 . . . A 46 LYS H . 25576 1 580 . 1 1 60 60 LYS HA H 1 4.087 0.020 . 1 . . . A 46 LYS HA . 25576 1 581 . 1 1 60 60 LYS HB2 H 1 1.819 0.020 . 2 . . . A 46 LYS HB2 . 25576 1 582 . 1 1 60 60 LYS HB3 H 1 1.819 0.020 . 2 . . . A 46 LYS HB3 . 25576 1 583 . 1 1 60 60 LYS HG2 H 1 1.403 0.020 . 2 . . . A 46 LYS HG2 . 25576 1 584 . 1 1 60 60 LYS HG3 H 1 1.403 0.020 . 2 . . . A 46 LYS HG3 . 25576 1 585 . 1 1 60 60 LYS HD2 H 1 1.681 0.020 . 2 . . . A 46 LYS HD2 . 25576 1 586 . 1 1 60 60 LYS HD3 H 1 1.681 0.020 . 2 . . . A 46 LYS HD3 . 25576 1 587 . 1 1 60 60 LYS HE2 H 1 2.970 0.020 . 2 . . . A 46 LYS HE2 . 25576 1 588 . 1 1 60 60 LYS HE3 H 1 2.970 0.020 . 2 . . . A 46 LYS HE3 . 25576 1 589 . 1 1 60 60 LYS C C 13 178.977 0.400 . 1 . . . A 46 LYS C . 25576 1 590 . 1 1 60 60 LYS CA C 13 58.615 0.400 . 1 . . . A 46 LYS CA . 25576 1 591 . 1 1 60 60 LYS CB C 13 31.643 0.400 . 1 . . . A 46 LYS CB . 25576 1 592 . 1 1 60 60 LYS CG C 13 24.498 0.400 . 1 . . . A 46 LYS CG . 25576 1 593 . 1 1 60 60 LYS CD C 13 29.118 0.400 . 1 . . . A 46 LYS CD . 25576 1 594 . 1 1 60 60 LYS CE C 13 42.048 0.400 . 1 . . . A 46 LYS CE . 25576 1 595 . 1 1 60 60 LYS N N 15 114.033 0.400 . 1 . . . A 46 LYS N . 25576 1 596 . 1 1 61 61 LEU H H 1 6.739 0.020 . 1 . . . A 47 LEU H . 25576 1 597 . 1 1 61 61 LEU HA H 1 3.660 0.020 . 1 . . . A 47 LEU HA . 25576 1 598 . 1 1 61 61 LEU HB2 H 1 1.460 0.020 . 1 . . . A 47 LEU HB2 . 25576 1 599 . 1 1 61 61 LEU HB3 H 1 1.317 0.020 . 1 . . . A 47 LEU HB3 . 25576 1 600 . 1 1 61 61 LEU HG H 1 0.296 0.020 . 1 . . . A 47 LEU HG . 25576 1 601 . 1 1 61 61 LEU HD11 H 1 0.630 0.020 . 2 . . . A 47 LEU HD11 . 25576 1 602 . 1 1 61 61 LEU HD12 H 1 0.630 0.020 . 2 . . . A 47 LEU HD12 . 25576 1 603 . 1 1 61 61 LEU HD13 H 1 0.630 0.020 . 2 . . . A 47 LEU HD13 . 25576 1 604 . 1 1 61 61 LEU HD21 H 1 0.213 0.020 . 2 . . . A 47 LEU HD21 . 25576 1 605 . 1 1 61 61 LEU HD22 H 1 0.213 0.020 . 2 . . . A 47 LEU HD22 . 25576 1 606 . 1 1 61 61 LEU HD23 H 1 0.213 0.020 . 2 . . . A 47 LEU HD23 . 25576 1 607 . 1 1 61 61 LEU C C 13 177.575 0.400 . 1 . . . A 47 LEU C . 25576 1 608 . 1 1 61 61 LEU CA C 13 58.514 0.400 . 1 . . . A 47 LEU CA . 25576 1 609 . 1 1 61 61 LEU CB C 13 41.890 0.400 . 1 . . . A 47 LEU CB . 25576 1 610 . 1 1 61 61 LEU CG C 13 26.721 0.400 . 1 . . . A 47 LEU CG . 25576 1 611 . 1 1 61 61 LEU CD1 C 13 27.028 0.400 . 1 . . . A 47 LEU CD1 . 25576 1 612 . 1 1 61 61 LEU CD2 C 13 24.070 0.400 . 1 . . . A 47 LEU CD2 . 25576 1 613 . 1 1 61 61 LEU N N 15 121.871 0.400 . 1 . . . A 47 LEU N . 25576 1 614 . 1 1 62 62 LYS H H 1 7.556 0.020 . 1 . . . A 48 LYS H . 25576 1 615 . 1 1 62 62 LYS HA H 1 3.081 0.020 . 1 . . . A 48 LYS HA . 25576 1 616 . 1 1 62 62 LYS HB2 H 1 1.686 0.020 . 2 . . . A 48 LYS HB2 . 25576 1 617 . 1 1 62 62 LYS HB3 H 1 1.686 0.020 . 2 . . . A 48 LYS HB3 . 25576 1 618 . 1 1 62 62 LYS HG2 H 1 1.342 0.020 . 2 . . . A 48 LYS HG2 . 25576 1 619 . 1 1 62 62 LYS HG3 H 1 1.342 0.020 . 2 . . . A 48 LYS HG3 . 25576 1 620 . 1 1 62 62 LYS HD2 H 1 1.397 0.020 . 2 . . . A 48 LYS HD2 . 25576 1 621 . 1 1 62 62 LYS HD3 H 1 1.397 0.020 . 2 . . . A 48 LYS HD3 . 25576 1 622 . 1 1 62 62 LYS HE2 H 1 2.420 0.020 . 2 . . . A 48 LYS HE2 . 25576 1 623 . 1 1 62 62 LYS HE3 H 1 2.420 0.020 . 2 . . . A 48 LYS HE3 . 25576 1 624 . 1 1 62 62 LYS C C 13 178.700 0.400 . 1 . . . A 48 LYS C . 25576 1 625 . 1 1 62 62 LYS CA C 13 59.712 0.400 . 1 . . . A 48 LYS CA . 25576 1 626 . 1 1 62 62 LYS CB C 13 32.411 0.400 . 1 . . . A 48 LYS CB . 25576 1 627 . 1 1 62 62 LYS CG C 13 23.052 0.400 . 1 . . . A 48 LYS CG . 25576 1 628 . 1 1 62 62 LYS CD C 13 30.402 0.400 . 1 . . . A 48 LYS CD . 25576 1 629 . 1 1 62 62 LYS CE C 13 42.369 0.400 . 1 . . . A 48 LYS CE . 25576 1 630 . 1 1 62 62 LYS N N 15 118.246 0.400 . 1 . . . A 48 LYS N . 25576 1 631 . 1 1 63 63 GLU H H 1 8.500 0.020 . 1 . . . A 49 GLU H . 25576 1 632 . 1 1 63 63 GLU HA H 1 3.973 0.020 . 1 . . . A 49 GLU HA . 25576 1 633 . 1 1 63 63 GLU HB2 H 1 1.951 0.020 . 2 . . . A 49 GLU HB2 . 25576 1 634 . 1 1 63 63 GLU HB3 H 1 1.951 0.020 . 2 . . . A 49 GLU HB3 . 25576 1 635 . 1 1 63 63 GLU HG2 H 1 2.445 0.020 . 1 . . . A 49 GLU HG2 . 25576 1 636 . 1 1 63 63 GLU HG3 H 1 2.222 0.020 . 1 . . . A 49 GLU HG3 . 25576 1 637 . 1 1 63 63 GLU C C 13 179.453 0.400 . 1 . . . A 49 GLU C . 25576 1 638 . 1 1 63 63 GLU CA C 13 59.627 0.400 . 1 . . . A 49 GLU CA . 25576 1 639 . 1 1 63 63 GLU CB C 13 30.120 0.400 . 1 . . . A 49 GLU CB . 25576 1 640 . 1 1 63 63 GLU CG C 13 36.782 0.400 . 1 . . . A 49 GLU CG . 25576 1 641 . 1 1 63 63 GLU N N 15 118.092 0.400 . 1 . . . A 49 GLU N . 25576 1 642 . 1 1 64 64 SER H H 1 7.966 0.020 . 1 . . . A 50 SER H . 25576 1 643 . 1 1 64 64 SER HA H 1 4.260 0.020 . 1 . . . A 50 SER HA . 25576 1 644 . 1 1 64 64 SER HB2 H 1 4.009 0.020 . 2 . . . A 50 SER HB2 . 25576 1 645 . 1 1 64 64 SER HB3 H 1 4.009 0.020 . 2 . . . A 50 SER HB3 . 25576 1 646 . 1 1 64 64 SER C C 13 177.171 0.400 . 1 . . . A 50 SER C . 25576 1 647 . 1 1 64 64 SER CA C 13 61.947 0.400 . 1 . . . A 50 SER CA . 25576 1 648 . 1 1 64 64 SER CB C 13 63.258 0.400 . 1 . . . A 50 SER CB . 25576 1 649 . 1 1 64 64 SER N N 15 115.646 0.400 . 1 . . . A 50 SER N . 25576 1 650 . 1 1 65 65 TYR H H 1 8.833 0.020 . 1 . . . A 51 TYR H . 25576 1 651 . 1 1 65 65 TYR HA H 1 4.026 0.020 . 1 . . . A 51 TYR HA . 25576 1 652 . 1 1 65 65 TYR HB2 H 1 3.367 0.020 . 1 . . . A 51 TYR HB2 . 25576 1 653 . 1 1 65 65 TYR HB3 H 1 2.976 0.020 . 1 . . . A 51 TYR HB3 . 25576 1 654 . 1 1 65 65 TYR HD1 H 1 7.072 0.020 . 1 . . . A 51 TYR HD1 . 25576 1 655 . 1 1 65 65 TYR HD2 H 1 7.072 0.020 . 1 . . . A 51 TYR HD2 . 25576 1 656 . 1 1 65 65 TYR HE1 H 1 6.660 0.020 . 1 . . . A 51 TYR HE1 . 25576 1 657 . 1 1 65 65 TYR HE2 H 1 6.771 0.020 . 1 . . . A 51 TYR HE2 . 25576 1 658 . 1 1 65 65 TYR C C 13 177.374 0.400 . 1 . . . A 51 TYR C . 25576 1 659 . 1 1 65 65 TYR CA C 13 63.608 0.400 . 1 . . . A 51 TYR CA . 25576 1 660 . 1 1 65 65 TYR CB C 13 38.618 0.400 . 1 . . . A 51 TYR CB . 25576 1 661 . 1 1 65 65 TYR CD1 C 13 133.206 0.400 . 1 . . . A 51 TYR CD1 . 25576 1 662 . 1 1 65 65 TYR CD2 C 13 132.344 0.400 . 1 . . . A 51 TYR CD2 . 25576 1 663 . 1 1 65 65 TYR CE1 C 13 118.274 0.400 . 1 . . . A 51 TYR CE1 . 25576 1 664 . 1 1 65 65 TYR CE2 C 13 118.245 0.400 . 1 . . . A 51 TYR CE2 . 25576 1 665 . 1 1 65 65 TYR N N 15 122.610 0.400 . 1 . . . A 51 TYR N . 25576 1 666 . 1 1 66 66 CYS H H 1 8.676 0.020 . 1 . . . A 52 CYS H . 25576 1 667 . 1 1 66 66 CYS HA H 1 3.915 0.020 . 1 . . . A 52 CYS HA . 25576 1 668 . 1 1 66 66 CYS HB2 H 1 3.425 0.020 . 1 . . . A 52 CYS HB2 . 25576 1 669 . 1 1 66 66 CYS HB3 H 1 3.047 0.020 . 1 . . . A 52 CYS HB3 . 25576 1 670 . 1 1 66 66 CYS C C 13 177.182 0.400 . 1 . . . A 52 CYS C . 25576 1 671 . 1 1 66 66 CYS CA C 13 65.108 0.400 . 1 . . . A 52 CYS CA . 25576 1 672 . 1 1 66 66 CYS CB C 13 26.151 0.400 . 1 . . . A 52 CYS CB . 25576 1 673 . 1 1 66 66 CYS N N 15 117.395 0.400 . 1 . . . A 52 CYS N . 25576 1 674 . 1 1 67 67 GLN H H 1 8.322 0.020 . 1 . . . A 53 GLN H . 25576 1 675 . 1 1 67 67 GLN HA H 1 4.109 0.020 . 1 . . . A 53 GLN HA . 25576 1 676 . 1 1 67 67 GLN HB2 H 1 2.218 0.020 . 2 . . . A 53 GLN HB2 . 25576 1 677 . 1 1 67 67 GLN HB3 H 1 2.218 0.020 . 2 . . . A 53 GLN HB3 . 25576 1 678 . 1 1 67 67 GLN HG2 H 1 2.531 0.020 . 1 . . . A 53 GLN HG2 . 25576 1 679 . 1 1 67 67 GLN HG3 H 1 2.388 0.020 . 1 . . . A 53 GLN HG3 . 25576 1 680 . 1 1 67 67 GLN HE21 H 1 7.472 0.020 . 1 . . . A 53 GLN HE21 . 25576 1 681 . 1 1 67 67 GLN HE22 H 1 6.878 0.020 . 1 . . . A 53 GLN HE22 . 25576 1 682 . 1 1 67 67 GLN C C 13 179.105 0.400 . 1 . . . A 53 GLN C . 25576 1 683 . 1 1 67 67 GLN CA C 13 58.973 0.400 . 1 . . . A 53 GLN CA . 25576 1 684 . 1 1 67 67 GLN CB C 13 28.211 0.400 . 1 . . . A 53 GLN CB . 25576 1 685 . 1 1 67 67 GLN CG C 13 33.954 0.400 . 1 . . . A 53 GLN CG . 25576 1 686 . 1 1 67 67 GLN N N 15 119.196 0.400 . 1 . . . A 53 GLN N . 25576 1 687 . 1 1 67 67 GLN NE2 N 15 111.601 0.400 . 1 . . . A 53 GLN NE2 . 25576 1 688 . 1 1 68 68 ARG H H 1 8.011 0.020 . 1 . . . A 54 ARG H . 25576 1 689 . 1 1 68 68 ARG HA H 1 4.018 0.020 . 1 . . . A 54 ARG HA . 25576 1 690 . 1 1 68 68 ARG HB2 H 1 1.959 0.020 . 2 . . . A 54 ARG HB2 . 25576 1 691 . 1 1 68 68 ARG HB3 H 1 1.959 0.020 . 2 . . . A 54 ARG HB3 . 25576 1 692 . 1 1 68 68 ARG HG2 H 1 1.715 0.020 . 2 . . . A 54 ARG HG2 . 25576 1 693 . 1 1 68 68 ARG HG3 H 1 1.715 0.020 . 2 . . . A 54 ARG HG3 . 25576 1 694 . 1 1 68 68 ARG HD2 H 1 3.120 0.020 . 2 . . . A 54 ARG HD2 . 25576 1 695 . 1 1 68 68 ARG HD3 H 1 3.120 0.020 . 2 . . . A 54 ARG HD3 . 25576 1 696 . 1 1 68 68 ARG C C 13 178.300 0.400 . 1 . . . A 54 ARG C . 25576 1 697 . 1 1 68 68 ARG CA C 13 58.552 0.400 . 1 . . . A 54 ARG CA . 25576 1 698 . 1 1 68 68 ARG CB C 13 29.669 0.400 . 1 . . . A 54 ARG CB . 25576 1 699 . 1 1 68 68 ARG CG C 13 27.152 0.400 . 1 . . . A 54 ARG CG . 25576 1 700 . 1 1 68 68 ARG CD C 13 42.350 0.400 . 1 . . . A 54 ARG CD . 25576 1 701 . 1 1 68 68 ARG N N 15 120.139 0.400 . 1 . . . A 54 ARG N . 25576 1 702 . 1 1 69 69 GLN H H 1 7.806 0.020 . 1 . . . A 55 GLN H . 25576 1 703 . 1 1 69 69 GLN HA H 1 4.251 0.020 . 1 . . . A 55 GLN HA . 25576 1 704 . 1 1 69 69 GLN HB2 H 1 1.621 0.020 . 2 . . . A 55 GLN HB2 . 25576 1 705 . 1 1 69 69 GLN HB3 H 1 1.621 0.020 . 2 . . . A 55 GLN HB3 . 25576 1 706 . 1 1 69 69 GLN HG2 H 1 2.111 0.020 . 2 . . . A 55 GLN HG2 . 25576 1 707 . 1 1 69 69 GLN HG3 H 1 2.111 0.020 . 2 . . . A 55 GLN HG3 . 25576 1 708 . 1 1 69 69 GLN HE21 H 1 7.551 0.020 . 1 . . . A 55 GLN HE21 . 25576 1 709 . 1 1 69 69 GLN HE22 H 1 6.851 0.020 . 1 . . . A 55 GLN HE22 . 25576 1 710 . 1 1 69 69 GLN C C 13 176.410 0.400 . 1 . . . A 55 GLN C . 25576 1 711 . 1 1 69 69 GLN CA C 13 55.119 0.400 . 1 . . . A 55 GLN CA . 25576 1 712 . 1 1 69 69 GLN CB C 13 29.424 0.400 . 1 . . . A 55 GLN CB . 25576 1 713 . 1 1 69 69 GLN CG C 13 32.859 0.400 . 1 . . . A 55 GLN CG . 25576 1 714 . 1 1 69 69 GLN N N 15 114.160 0.400 . 1 . . . A 55 GLN N . 25576 1 715 . 1 1 69 69 GLN NE2 N 15 112.699 0.400 . 1 . . . A 55 GLN NE2 . 25576 1 716 . 1 1 70 70 GLY H H 1 7.932 0.020 . 1 . . . A 56 GLY H . 25576 1 717 . 1 1 70 70 GLY HA2 H 1 3.910 0.020 . 2 . . . A 56 GLY HA2 . 25576 1 718 . 1 1 70 70 GLY HA3 H 1 3.910 0.020 . 2 . . . A 56 GLY HA3 . 25576 1 719 . 1 1 70 70 GLY C C 13 174.908 0.400 . 1 . . . A 56 GLY C . 25576 1 720 . 1 1 70 70 GLY CA C 13 46.658 0.400 . 1 . . . A 56 GLY CA . 25576 1 721 . 1 1 70 70 GLY N N 15 109.749 0.400 . 1 . . . A 56 GLY N . 25576 1 722 . 1 1 71 71 VAL H H 1 7.651 0.020 . 1 . . . A 57 VAL H . 25576 1 723 . 1 1 71 71 VAL HA H 1 4.941 0.020 . 1 . . . A 57 VAL HA . 25576 1 724 . 1 1 71 71 VAL HB H 1 2.190 0.020 . 1 . . . A 57 VAL HB . 25576 1 725 . 1 1 71 71 VAL HG11 H 1 0.849 0.020 . 2 . . . A 57 VAL HG11 . 25576 1 726 . 1 1 71 71 VAL HG12 H 1 0.849 0.020 . 2 . . . A 57 VAL HG12 . 25576 1 727 . 1 1 71 71 VAL HG13 H 1 0.849 0.020 . 2 . . . A 57 VAL HG13 . 25576 1 728 . 1 1 71 71 VAL HG21 H 1 0.758 0.020 . 2 . . . A 57 VAL HG21 . 25576 1 729 . 1 1 71 71 VAL HG22 H 1 0.758 0.020 . 2 . . . A 57 VAL HG22 . 25576 1 730 . 1 1 71 71 VAL HG23 H 1 0.758 0.020 . 2 . . . A 57 VAL HG23 . 25576 1 731 . 1 1 71 71 VAL CA C 13 57.534 0.400 . 1 . . . A 57 VAL CA . 25576 1 732 . 1 1 71 71 VAL CB C 13 32.697 0.400 . 1 . . . A 57 VAL CB . 25576 1 733 . 1 1 71 71 VAL CG1 C 13 21.251 0.400 . 1 . . . A 57 VAL CG1 . 25576 1 734 . 1 1 71 71 VAL CG2 C 13 18.721 0.400 . 1 . . . A 57 VAL CG2 . 25576 1 735 . 1 1 71 71 VAL N N 15 111.990 0.400 . 1 . . . A 57 VAL N . 25576 1 736 . 1 1 72 72 PRO HA H 1 4.528 0.020 . 1 . . . A 58 PRO HA . 25576 1 737 . 1 1 72 72 PRO HB2 H 1 2.391 0.020 . 2 . . . A 58 PRO HB2 . 25576 1 738 . 1 1 72 72 PRO HB3 H 1 2.391 0.020 . 2 . . . A 58 PRO HB3 . 25576 1 739 . 1 1 72 72 PRO HG2 H 1 2.087 0.020 . 2 . . . A 58 PRO HG2 . 25576 1 740 . 1 1 72 72 PRO HG3 H 1 2.087 0.020 . 2 . . . A 58 PRO HG3 . 25576 1 741 . 1 1 72 72 PRO HD2 H 1 3.608 0.020 . 2 . . . A 58 PRO HD2 . 25576 1 742 . 1 1 72 72 PRO HD3 H 1 3.608 0.020 . 2 . . . A 58 PRO HD3 . 25576 1 743 . 1 1 72 72 PRO C C 13 179.169 0.400 . 1 . . . A 58 PRO C . 25576 1 744 . 1 1 72 72 PRO CA C 13 62.211 0.400 . 1 . . . A 58 PRO CA . 25576 1 745 . 1 1 72 72 PRO CB C 13 32.543 0.400 . 1 . . . A 58 PRO CB . 25576 1 746 . 1 1 72 72 PRO CG C 13 27.906 0.400 . 1 . . . A 58 PRO CG . 25576 1 747 . 1 1 72 72 PRO CD C 13 50.819 0.400 . 1 . . . A 58 PRO CD . 25576 1 748 . 1 1 73 73 MET H H 1 9.002 0.020 . 1 . . . A 59 MET H . 25576 1 749 . 1 1 73 73 MET HA H 1 4.703 0.020 . 1 . . . A 59 MET HA . 25576 1 750 . 1 1 73 73 MET HB2 H 1 2.102 0.020 . 2 . . . A 59 MET HB2 . 25576 1 751 . 1 1 73 73 MET HB3 H 1 2.102 0.020 . 2 . . . A 59 MET HB3 . 25576 1 752 . 1 1 73 73 MET HG2 H 1 2.705 0.020 . 2 . . . A 59 MET HG2 . 25576 1 753 . 1 1 73 73 MET HG3 H 1 2.705 0.020 . 2 . . . A 59 MET HG3 . 25576 1 754 . 1 1 73 73 MET HE1 H 1 2.083 0.020 . 1 . . . A 59 MET HE1 . 25576 1 755 . 1 1 73 73 MET HE2 H 1 2.083 0.020 . 1 . . . A 59 MET HE2 . 25576 1 756 . 1 1 73 73 MET HE3 H 1 2.083 0.020 . 1 . . . A 59 MET HE3 . 25576 1 757 . 1 1 73 73 MET C C 13 177.459 0.400 . 1 . . . A 59 MET C . 25576 1 758 . 1 1 73 73 MET CA C 13 58.247 0.400 . 1 . . . A 59 MET CA . 25576 1 759 . 1 1 73 73 MET CB C 13 32.795 0.400 . 1 . . . A 59 MET CB . 25576 1 760 . 1 1 73 73 MET CG C 13 32.553 0.400 . 1 . . . A 59 MET CG . 25576 1 761 . 1 1 73 73 MET CE C 13 17.595 0.400 . 1 . . . A 59 MET CE . 25576 1 762 . 1 1 73 73 MET N N 15 124.522 0.400 . 1 . . . A 59 MET N . 25576 1 763 . 1 1 74 74 ASN H H 1 8.424 0.020 . 1 . . . A 60 ASN H . 25576 1 764 . 1 1 74 74 ASN HA H 1 4.673 0.020 . 1 . . . A 60 ASN HA . 25576 1 765 . 1 1 74 74 ASN HB2 H 1 3.042 0.020 . 1 . . . A 60 ASN HB2 . 25576 1 766 . 1 1 74 74 ASN HB3 H 1 2.859 0.020 . 1 . . . A 60 ASN HB3 . 25576 1 767 . 1 1 74 74 ASN HD21 H 1 7.588 0.020 . 1 . . . A 60 ASN HD21 . 25576 1 768 . 1 1 74 74 ASN HD22 H 1 6.831 0.020 . 1 . . . A 60 ASN HD22 . 25576 1 769 . 1 1 74 74 ASN C C 13 175.674 0.400 . 1 . . . A 60 ASN C . 25576 1 770 . 1 1 74 74 ASN CA C 13 53.935 0.400 . 1 . . . A 60 ASN CA . 25576 1 771 . 1 1 74 74 ASN CB C 13 37.217 0.400 . 1 . . . A 60 ASN CB . 25576 1 772 . 1 1 74 74 ASN N N 15 113.185 0.400 . 1 . . . A 60 ASN N . 25576 1 773 . 1 1 74 74 ASN ND2 N 15 111.598 0.400 . 1 . . . A 60 ASN ND2 . 25576 1 774 . 1 1 75 75 SER H H 1 7.931 0.020 . 1 . . . A 61 SER H . 25576 1 775 . 1 1 75 75 SER HA H 1 4.500 0.020 . 1 . . . A 61 SER HA . 25576 1 776 . 1 1 75 75 SER HB2 H 1 4.127 0.020 . 1 . . . A 61 SER HB2 . 25576 1 777 . 1 1 75 75 SER HB3 H 1 3.816 0.020 . 1 . . . A 61 SER HB3 . 25576 1 778 . 1 1 75 75 SER C C 13 173.455 0.400 . 1 . . . A 61 SER C . 25576 1 779 . 1 1 75 75 SER CA C 13 59.609 0.400 . 1 . . . A 61 SER CA . 25576 1 780 . 1 1 75 75 SER CB C 13 64.812 0.400 . 1 . . . A 61 SER CB . 25576 1 781 . 1 1 75 75 SER N N 15 113.092 0.400 . 1 . . . A 61 SER N . 25576 1 782 . 1 1 76 76 LEU H H 1 7.265 0.020 . 1 . . . A 62 LEU H . 25576 1 783 . 1 1 76 76 LEU HA H 1 5.109 0.020 . 1 . . . A 62 LEU HA . 25576 1 784 . 1 1 76 76 LEU HB2 H 1 1.521 0.020 . 1 . . . A 62 LEU HB2 . 25576 1 785 . 1 1 76 76 LEU HB3 H 1 0.768 0.020 . 1 . . . A 62 LEU HB3 . 25576 1 786 . 1 1 76 76 LEU HG H 1 0.900 0.020 . 1 . . . A 62 LEU HG . 25576 1 787 . 1 1 76 76 LEU HD11 H 1 0.688 0.020 . 2 . . . A 62 LEU HD11 . 25576 1 788 . 1 1 76 76 LEU HD12 H 1 0.688 0.020 . 2 . . . A 62 LEU HD12 . 25576 1 789 . 1 1 76 76 LEU HD13 H 1 0.688 0.020 . 2 . . . A 62 LEU HD13 . 25576 1 790 . 1 1 76 76 LEU HD21 H 1 0.688 0.020 . 2 . . . A 62 LEU HD21 . 25576 1 791 . 1 1 76 76 LEU HD22 H 1 0.688 0.020 . 2 . . . A 62 LEU HD22 . 25576 1 792 . 1 1 76 76 LEU HD23 H 1 0.688 0.020 . 2 . . . A 62 LEU HD23 . 25576 1 793 . 1 1 76 76 LEU C C 13 175.588 0.400 . 1 . . . A 62 LEU C . 25576 1 794 . 1 1 76 76 LEU CA C 13 53.575 0.400 . 1 . . . A 62 LEU CA . 25576 1 795 . 1 1 76 76 LEU CB C 13 46.262 0.400 . 1 . . . A 62 LEU CB . 25576 1 796 . 1 1 76 76 LEU CG C 13 27.023 0.400 . 1 . . . A 62 LEU CG . 25576 1 797 . 1 1 76 76 LEU CD1 C 13 22.830 0.400 . 1 . . . A 62 LEU CD1 . 25576 1 798 . 1 1 76 76 LEU CD2 C 13 22.830 0.400 . 1 . . . A 62 LEU CD2 . 25576 1 799 . 1 1 76 76 LEU N N 15 120.961 0.400 . 1 . . . A 62 LEU N . 25576 1 800 . 1 1 77 77 ARG H H 1 8.993 0.020 . 1 . . . A 63 ARG H . 25576 1 801 . 1 1 77 77 ARG HA H 1 4.668 0.020 . 1 . . . A 63 ARG HA . 25576 1 802 . 1 1 77 77 ARG HB2 H 1 1.603 0.020 . 2 . . . A 63 ARG HB2 . 25576 1 803 . 1 1 77 77 ARG HB3 H 1 1.603 0.020 . 2 . . . A 63 ARG HB3 . 25576 1 804 . 1 1 77 77 ARG HG2 H 1 1.458 0.020 . 2 . . . A 63 ARG HG2 . 25576 1 805 . 1 1 77 77 ARG HG3 H 1 1.458 0.020 . 2 . . . A 63 ARG HG3 . 25576 1 806 . 1 1 77 77 ARG HD2 H 1 2.971 0.020 . 2 . . . A 63 ARG HD2 . 25576 1 807 . 1 1 77 77 ARG HD3 H 1 2.971 0.020 . 2 . . . A 63 ARG HD3 . 25576 1 808 . 1 1 77 77 ARG HE H 1 7.181 0.020 . 1 . . . A 63 ARG HE . 25576 1 809 . 1 1 77 77 ARG C C 13 172.784 0.400 . 1 . . . A 63 ARG C . 25576 1 810 . 1 1 77 77 ARG CA C 13 54.488 0.400 . 1 . . . A 63 ARG CA . 25576 1 811 . 1 1 77 77 ARG CB C 13 33.111 0.400 . 1 . . . A 63 ARG CB . 25576 1 812 . 1 1 77 77 ARG CG C 13 27.035 0.400 . 1 . . . A 63 ARG CG . 25576 1 813 . 1 1 77 77 ARG CD C 13 43.738 0.400 . 1 . . . A 63 ARG CD . 25576 1 814 . 1 1 77 77 ARG N N 15 120.142 0.400 . 1 . . . A 63 ARG N . 25576 1 815 . 1 1 77 77 ARG NE N 15 83.703 0.400 . 1 . . . A 63 ARG NE . 25576 1 816 . 1 1 78 78 PHE H H 1 8.923 0.020 . 1 . . . A 64 PHE H . 25576 1 817 . 1 1 78 78 PHE HA H 1 4.959 0.020 . 1 . . . A 64 PHE HA . 25576 1 818 . 1 1 78 78 PHE HB2 H 1 2.909 0.020 . 1 . . . A 64 PHE HB2 . 25576 1 819 . 1 1 78 78 PHE HB3 H 1 2.436 0.020 . 1 . . . A 64 PHE HB3 . 25576 1 820 . 1 1 78 78 PHE HD1 H 1 7.289 0.020 . 1 . . . A 64 PHE HD1 . 25576 1 821 . 1 1 78 78 PHE HD2 H 1 7.289 0.020 . 1 . . . A 64 PHE HD2 . 25576 1 822 . 1 1 78 78 PHE HE1 H 1 7.312 0.020 . 1 . . . A 64 PHE HE1 . 25576 1 823 . 1 1 78 78 PHE HE2 H 1 7.332 0.020 . 1 . . . A 64 PHE HE2 . 25576 1 824 . 1 1 78 78 PHE C C 13 174.150 0.400 . 1 . . . A 64 PHE C . 25576 1 825 . 1 1 78 78 PHE CA C 13 56.347 0.400 . 1 . . . A 64 PHE CA . 25576 1 826 . 1 1 78 78 PHE CB C 13 40.762 0.400 . 1 . . . A 64 PHE CB . 25576 1 827 . 1 1 78 78 PHE CD1 C 13 130.997 0.400 . 1 . . . A 64 PHE CD1 . 25576 1 828 . 1 1 78 78 PHE CD2 C 13 130.997 0.400 . 1 . . . A 64 PHE CD2 . 25576 1 829 . 1 1 78 78 PHE CE1 C 13 130.666 0.400 . 1 . . . A 64 PHE CE1 . 25576 1 830 . 1 1 78 78 PHE CE2 C 13 130.666 0.400 . 1 . . . A 64 PHE CE2 . 25576 1 831 . 1 1 78 78 PHE N N 15 122.537 0.400 . 1 . . . A 64 PHE N . 25576 1 832 . 1 1 79 79 LEU H H 1 9.738 0.020 . 1 . . . A 65 LEU H . 25576 1 833 . 1 1 79 79 LEU HA H 1 5.290 0.020 . 1 . . . A 65 LEU HA . 25576 1 834 . 1 1 79 79 LEU HB2 H 1 1.852 0.020 . 1 . . . A 65 LEU HB2 . 25576 1 835 . 1 1 79 79 LEU HB3 H 1 1.280 0.020 . 1 . . . A 65 LEU HB3 . 25576 1 836 . 1 1 79 79 LEU HG H 1 1.456 0.020 . 1 . . . A 65 LEU HG . 25576 1 837 . 1 1 79 79 LEU HD11 H 1 0.701 0.020 . 2 . . . A 65 LEU HD11 . 25576 1 838 . 1 1 79 79 LEU HD12 H 1 0.701 0.020 . 2 . . . A 65 LEU HD12 . 25576 1 839 . 1 1 79 79 LEU HD13 H 1 0.701 0.020 . 2 . . . A 65 LEU HD13 . 25576 1 840 . 1 1 79 79 LEU HD21 H 1 0.604 0.020 . 2 . . . A 65 LEU HD21 . 25576 1 841 . 1 1 79 79 LEU HD22 H 1 0.604 0.020 . 2 . . . A 65 LEU HD22 . 25576 1 842 . 1 1 79 79 LEU HD23 H 1 0.604 0.020 . 2 . . . A 65 LEU HD23 . 25576 1 843 . 1 1 79 79 LEU C C 13 175.903 0.400 . 1 . . . A 65 LEU C . 25576 1 844 . 1 1 79 79 LEU CA C 13 53.729 0.400 . 1 . . . A 65 LEU CA . 25576 1 845 . 1 1 79 79 LEU CB C 13 46.385 0.400 . 1 . . . A 65 LEU CB . 25576 1 846 . 1 1 79 79 LEU CG C 13 28.170 0.400 . 1 . . . A 65 LEU CG . 25576 1 847 . 1 1 79 79 LEU CD1 C 13 25.444 0.400 . 1 . . . A 65 LEU CD1 . 25576 1 848 . 1 1 79 79 LEU CD2 C 13 23.965 0.400 . 1 . . . A 65 LEU CD2 . 25576 1 849 . 1 1 79 79 LEU N N 15 124.212 0.400 . 1 . . . A 65 LEU N . 25576 1 850 . 1 1 80 80 PHE H H 1 8.968 0.020 . 1 . . . A 66 PHE H . 25576 1 851 . 1 1 80 80 PHE HA H 1 5.202 0.020 . 1 . . . A 66 PHE HA . 25576 1 852 . 1 1 80 80 PHE HB2 H 1 2.936 0.020 . 1 . . . A 66 PHE HB2 . 25576 1 853 . 1 1 80 80 PHE HB3 H 1 2.716 0.020 . 1 . . . A 66 PHE HB3 . 25576 1 854 . 1 1 80 80 PHE HD1 H 1 7.379 0.020 . 1 . . . A 66 PHE HD1 . 25576 1 855 . 1 1 80 80 PHE HD2 H 1 7.379 0.020 . 1 . . . A 66 PHE HD2 . 25576 1 856 . 1 1 80 80 PHE HE1 H 1 7.333 0.020 . 1 . . . A 66 PHE HE1 . 25576 1 857 . 1 1 80 80 PHE HE2 H 1 7.333 0.020 . 1 . . . A 66 PHE HE2 . 25576 1 858 . 1 1 80 80 PHE C C 13 175.017 0.400 . 1 . . . A 66 PHE C . 25576 1 859 . 1 1 80 80 PHE CA C 13 56.291 0.400 . 1 . . . A 66 PHE CA . 25576 1 860 . 1 1 80 80 PHE CB C 13 41.700 0.400 . 1 . . . A 66 PHE CB . 25576 1 861 . 1 1 80 80 PHE CD1 C 13 132.014 0.400 . 1 . . . A 66 PHE CD1 . 25576 1 862 . 1 1 80 80 PHE CD2 C 13 132.014 0.400 . 1 . . . A 66 PHE CD2 . 25576 1 863 . 1 1 80 80 PHE CE1 C 13 131.954 0.400 . 1 . . . A 66 PHE CE1 . 25576 1 864 . 1 1 80 80 PHE CE2 C 13 131.954 0.400 . 1 . . . A 66 PHE CE2 . 25576 1 865 . 1 1 80 80 PHE N N 15 119.384 0.400 . 1 . . . A 66 PHE N . 25576 1 866 . 1 1 81 81 GLU H H 1 9.381 0.020 . 1 . . . A 67 GLU H . 25576 1 867 . 1 1 81 81 GLU HA H 1 3.540 0.020 . 1 . . . A 67 GLU HA . 25576 1 868 . 1 1 81 81 GLU HB2 H 1 1.798 0.020 . 1 . . . A 67 GLU HB2 . 25576 1 869 . 1 1 81 81 GLU HB3 H 1 1.301 0.020 . 1 . . . A 67 GLU HB3 . 25576 1 870 . 1 1 81 81 GLU HG2 H 1 1.143 0.020 . 1 . . . A 67 GLU HG2 . 25576 1 871 . 1 1 81 81 GLU HG3 H 1 1.324 0.020 . 1 . . . A 67 GLU HG3 . 25576 1 872 . 1 1 81 81 GLU C C 13 176.778 0.400 . 1 . . . A 67 GLU C . 25576 1 873 . 1 1 81 81 GLU CA C 13 56.769 0.400 . 1 . . . A 67 GLU CA . 25576 1 874 . 1 1 81 81 GLU CB C 13 26.897 0.400 . 1 . . . A 67 GLU CB . 25576 1 875 . 1 1 81 81 GLU CG C 13 35.410 0.400 . 1 . . . A 67 GLU CG . 25576 1 876 . 1 1 81 81 GLU N N 15 129.196 0.400 . 1 . . . A 67 GLU N . 25576 1 877 . 1 1 82 82 GLY H H 1 8.858 0.020 . 1 . . . A 68 GLY H . 25576 1 878 . 1 1 82 82 GLY HA2 H 1 4.092 0.020 . 1 . . . A 68 GLY HA2 . 25576 1 879 . 1 1 82 82 GLY HA3 H 1 3.446 0.020 . 1 . . . A 68 GLY HA3 . 25576 1 880 . 1 1 82 82 GLY C C 13 173.651 0.400 . 1 . . . A 68 GLY C . 25576 1 881 . 1 1 82 82 GLY CA C 13 45.476 0.400 . 1 . . . A 68 GLY CA . 25576 1 882 . 1 1 82 82 GLY N N 15 103.263 0.400 . 1 . . . A 68 GLY N . 25576 1 883 . 1 1 83 83 GLN H H 1 7.996 0.020 . 1 . . . A 69 GLN H . 25576 1 884 . 1 1 83 83 GLN HA H 1 4.589 0.020 . 1 . . . A 69 GLN HA . 25576 1 885 . 1 1 83 83 GLN HB2 H 1 2.130 0.020 . 1 . . . A 69 GLN HB2 . 25576 1 886 . 1 1 83 83 GLN HB3 H 1 2.174 0.020 . 1 . . . A 69 GLN HB3 . 25576 1 887 . 1 1 83 83 GLN HG2 H 1 2.334 0.020 . 2 . . . A 69 GLN HG2 . 25576 1 888 . 1 1 83 83 GLN HG3 H 1 2.334 0.020 . 2 . . . A 69 GLN HG3 . 25576 1 889 . 1 1 83 83 GLN HE21 H 1 7.546 0.020 . 1 . . . A 69 GLN HE21 . 25576 1 890 . 1 1 83 83 GLN HE22 H 1 6.995 0.020 . 1 . . . A 69 GLN HE22 . 25576 1 891 . 1 1 83 83 GLN C C 13 175.204 0.400 . 1 . . . A 69 GLN C . 25576 1 892 . 1 1 83 83 GLN CA C 13 53.776 0.400 . 1 . . . A 69 GLN CA . 25576 1 893 . 1 1 83 83 GLN CB C 13 30.660 0.400 . 1 . . . A 69 GLN CB . 25576 1 894 . 1 1 83 83 GLN CG C 13 33.573 0.400 . 1 . . . A 69 GLN CG . 25576 1 895 . 1 1 83 83 GLN N N 15 120.732 0.400 . 1 . . . A 69 GLN N . 25576 1 896 . 1 1 83 83 GLN NE2 N 15 112.270 0.400 . 1 . . . A 69 GLN NE2 . 25576 1 897 . 1 1 84 84 ARG H H 1 8.823 0.020 . 1 . . . A 70 ARG H . 25576 1 898 . 1 1 84 84 ARG HA H 1 4.395 0.020 . 1 . . . A 70 ARG HA . 25576 1 899 . 1 1 84 84 ARG HB2 H 1 1.766 0.020 . 2 . . . A 70 ARG HB2 . 25576 1 900 . 1 1 84 84 ARG HB3 H 1 1.766 0.020 . 2 . . . A 70 ARG HB3 . 25576 1 901 . 1 1 84 84 ARG HG2 H 1 1.437 0.020 . 2 . . . A 70 ARG HG2 . 25576 1 902 . 1 1 84 84 ARG HG3 H 1 1.437 0.020 . 2 . . . A 70 ARG HG3 . 25576 1 903 . 1 1 84 84 ARG HD2 H 1 3.183 0.020 . 2 . . . A 70 ARG HD2 . 25576 1 904 . 1 1 84 84 ARG HD3 H 1 3.183 0.020 . 2 . . . A 70 ARG HD3 . 25576 1 905 . 1 1 84 84 ARG C C 13 177.004 0.400 . 1 . . . A 70 ARG C . 25576 1 906 . 1 1 84 84 ARG CA C 13 57.305 0.400 . 1 . . . A 70 ARG CA . 25576 1 907 . 1 1 84 84 ARG CB C 13 30.511 0.400 . 1 . . . A 70 ARG CB . 25576 1 908 . 1 1 84 84 ARG CG C 13 28.333 0.400 . 1 . . . A 70 ARG CG . 25576 1 909 . 1 1 84 84 ARG CD C 13 43.410 0.400 . 1 . . . A 70 ARG CD . 25576 1 910 . 1 1 84 84 ARG N N 15 125.102 0.400 . 1 . . . A 70 ARG N . 25576 1 911 . 1 1 85 85 ILE H H 1 9.020 0.020 . 1 . . . A 71 ILE H . 25576 1 912 . 1 1 85 85 ILE HA H 1 4.477 0.020 . 1 . . . A 71 ILE HA . 25576 1 913 . 1 1 85 85 ILE HB H 1 1.574 0.020 . 1 . . . A 71 ILE HB . 25576 1 914 . 1 1 85 85 ILE HG12 H 1 1.879 0.020 . 2 . . . A 71 ILE HG12 . 25576 1 915 . 1 1 85 85 ILE HG13 H 1 1.879 0.020 . 2 . . . A 71 ILE HG13 . 25576 1 916 . 1 1 85 85 ILE HG21 H 1 0.819 0.020 . 1 . . . A 71 ILE HG21 . 25576 1 917 . 1 1 85 85 ILE HG22 H 1 0.819 0.020 . 1 . . . A 71 ILE HG22 . 25576 1 918 . 1 1 85 85 ILE HG23 H 1 0.819 0.020 . 1 . . . A 71 ILE HG23 . 25576 1 919 . 1 1 85 85 ILE HD11 H 1 0.714 0.020 . 1 . . . A 71 ILE HD11 . 25576 1 920 . 1 1 85 85 ILE HD12 H 1 0.714 0.020 . 1 . . . A 71 ILE HD12 . 25576 1 921 . 1 1 85 85 ILE HD13 H 1 0.714 0.020 . 1 . . . A 71 ILE HD13 . 25576 1 922 . 1 1 85 85 ILE C C 13 176.145 0.400 . 1 . . . A 71 ILE C . 25576 1 923 . 1 1 85 85 ILE CA C 13 61.337 0.400 . 1 . . . A 71 ILE CA . 25576 1 924 . 1 1 85 85 ILE CB C 13 39.067 0.400 . 1 . . . A 71 ILE CB . 25576 1 925 . 1 1 85 85 ILE CG1 C 13 27.620 0.400 . 1 . . . A 71 ILE CG1 . 25576 1 926 . 1 1 85 85 ILE CG2 C 13 18.878 0.400 . 1 . . . A 71 ILE CG2 . 25576 1 927 . 1 1 85 85 ILE CD1 C 13 15.479 0.400 . 1 . . . A 71 ILE CD1 . 25576 1 928 . 1 1 85 85 ILE N N 15 126.949 0.400 . 1 . . . A 71 ILE N . 25576 1 929 . 1 1 86 86 ALA H H 1 10.910 0.020 . 1 . . . A 72 ALA H . 25576 1 930 . 1 1 86 86 ALA HA H 1 4.334 0.020 . 1 . . . A 72 ALA HA . 25576 1 931 . 1 1 86 86 ALA HB1 H 1 0.839 0.020 . 1 . . . A 72 ALA HB1 . 25576 1 932 . 1 1 86 86 ALA HB2 H 1 0.839 0.020 . 1 . . . A 72 ALA HB2 . 25576 1 933 . 1 1 86 86 ALA HB3 H 1 0.839 0.020 . 1 . . . A 72 ALA HB3 . 25576 1 934 . 1 1 86 86 ALA C C 13 177.973 0.400 . 1 . . . A 72 ALA C . 25576 1 935 . 1 1 86 86 ALA CA C 13 50.785 0.400 . 1 . . . A 72 ALA CA . 25576 1 936 . 1 1 86 86 ALA CB C 13 18.407 0.400 . 1 . . . A 72 ALA CB . 25576 1 937 . 1 1 86 86 ALA N N 15 139.307 0.400 . 1 . . . A 72 ALA N . 25576 1 938 . 1 1 87 87 ASP H H 1 8.770 0.020 . 1 . . . A 73 ASP H . 25576 1 939 . 1 1 87 87 ASP HA H 1 3.823 0.020 . 1 . . . A 73 ASP HA . 25576 1 940 . 1 1 87 87 ASP HB2 H 1 2.540 0.020 . 2 . . . A 73 ASP HB2 . 25576 1 941 . 1 1 87 87 ASP HB3 H 1 2.540 0.020 . 2 . . . A 73 ASP HB3 . 25576 1 942 . 1 1 87 87 ASP C C 13 176.104 0.400 . 1 . . . A 73 ASP C . 25576 1 943 . 1 1 87 87 ASP CA C 13 57.113 0.400 . 1 . . . A 73 ASP CA . 25576 1 944 . 1 1 87 87 ASP CB C 13 40.032 0.400 . 1 . . . A 73 ASP CB . 25576 1 945 . 1 1 87 87 ASP N N 15 120.493 0.400 . 1 . . . A 73 ASP N . 25576 1 946 . 1 1 88 88 ASN H H 1 7.738 0.020 . 1 . . . A 74 ASN H . 25576 1 947 . 1 1 88 88 ASN HA H 1 4.245 0.020 . 1 . . . A 74 ASN HA . 25576 1 948 . 1 1 88 88 ASN HB2 H 1 2.651 0.020 . 1 . . . A 74 ASN HB2 . 25576 1 949 . 1 1 88 88 ASN HB3 H 1 2.494 0.020 . 1 . . . A 74 ASN HB3 . 25576 1 950 . 1 1 88 88 ASN HD21 H 1 7.590 0.020 . 1 . . . A 74 ASN HD21 . 25576 1 951 . 1 1 88 88 ASN HD22 H 1 6.685 0.020 . 1 . . . A 74 ASN HD22 . 25576 1 952 . 1 1 88 88 ASN C C 13 176.050 0.400 . 1 . . . A 74 ASN C . 25576 1 953 . 1 1 88 88 ASN CA C 13 52.073 0.400 . 1 . . . A 74 ASN CA . 25576 1 954 . 1 1 88 88 ASN CB C 13 37.343 0.400 . 1 . . . A 74 ASN CB . 25576 1 955 . 1 1 88 88 ASN N N 15 109.526 0.400 . 1 . . . A 74 ASN N . 25576 1 956 . 1 1 88 88 ASN ND2 N 15 112.028 0.400 . 1 . . . A 74 ASN ND2 . 25576 1 957 . 1 1 89 89 HIS H H 1 7.149 0.020 . 1 . . . A 75 HIS H . 25576 1 958 . 1 1 89 89 HIS HA H 1 4.908 0.020 . 1 . . . A 75 HIS HA . 25576 1 959 . 1 1 89 89 HIS HB2 H 1 3.322 0.020 . 1 . . . A 75 HIS HB2 . 25576 1 960 . 1 1 89 89 HIS HB3 H 1 2.803 0.020 . 1 . . . A 75 HIS HB3 . 25576 1 961 . 1 1 89 89 HIS HD2 H 1 7.137 0.020 . 1 . . . A 75 HIS HD2 . 25576 1 962 . 1 1 89 89 HIS HE1 H 1 7.804 0.020 . 1 . . . A 75 HIS HE1 . 25576 1 963 . 1 1 89 89 HIS C C 13 175.680 0.400 . 1 . . . A 75 HIS C . 25576 1 964 . 1 1 89 89 HIS CA C 13 56.606 0.400 . 1 . . . A 75 HIS CA . 25576 1 965 . 1 1 89 89 HIS CB C 13 33.549 0.400 . 1 . . . A 75 HIS CB . 25576 1 966 . 1 1 89 89 HIS CD2 C 13 116.330 0.400 . 1 . . . A 75 HIS CD2 . 25576 1 967 . 1 1 89 89 HIS CE1 C 13 138.721 0.400 . 1 . . . A 75 HIS CE1 . 25576 1 968 . 1 1 89 89 HIS N N 15 119.821 0.400 . 1 . . . A 75 HIS N . 25576 1 969 . 1 1 90 90 THR H H 1 7.303 0.020 . 1 . . . A 76 THR H . 25576 1 970 . 1 1 90 90 THR HA H 1 5.197 0.020 . 1 . . . A 76 THR HA . 25576 1 971 . 1 1 90 90 THR HB H 1 4.471 0.020 . 1 . . . A 76 THR HB . 25576 1 972 . 1 1 90 90 THR HG21 H 1 1.008 0.020 . 1 . . . A 76 THR HG21 . 25576 1 973 . 1 1 90 90 THR HG22 H 1 1.008 0.020 . 1 . . . A 76 THR HG22 . 25576 1 974 . 1 1 90 90 THR HG23 H 1 1.008 0.020 . 1 . . . A 76 THR HG23 . 25576 1 975 . 1 1 90 90 THR CA C 13 57.594 0.400 . 1 . . . A 76 THR CA . 25576 1 976 . 1 1 90 90 THR CB C 13 70.033 0.400 . 1 . . . A 76 THR CB . 25576 1 977 . 1 1 90 90 THR CG2 C 13 21.490 0.400 . 1 . . . A 76 THR CG2 . 25576 1 978 . 1 1 90 90 THR N N 15 108.304 0.400 . 1 . . . A 76 THR N . 25576 1 979 . 1 1 91 91 PRO HA H 1 4.241 0.020 . 1 . . . A 77 PRO HA . 25576 1 980 . 1 1 91 91 PRO HB2 H 1 2.100 0.020 . 2 . . . A 77 PRO HB2 . 25576 1 981 . 1 1 91 91 PRO HB3 H 1 2.100 0.020 . 2 . . . A 77 PRO HB3 . 25576 1 982 . 1 1 91 91 PRO HG2 H 1 2.166 0.020 . 2 . . . A 77 PRO HG2 . 25576 1 983 . 1 1 91 91 PRO HG3 H 1 2.166 0.020 . 2 . . . A 77 PRO HG3 . 25576 1 984 . 1 1 91 91 PRO HD2 H 1 3.846 0.020 . 2 . . . A 77 PRO HD2 . 25576 1 985 . 1 1 91 91 PRO HD3 H 1 3.846 0.020 . 2 . . . A 77 PRO HD3 . 25576 1 986 . 1 1 91 91 PRO C C 13 178.445 0.400 . 1 . . . A 77 PRO C . 25576 1 987 . 1 1 91 91 PRO CA C 13 65.724 0.400 . 1 . . . A 77 PRO CA . 25576 1 988 . 1 1 91 91 PRO CB C 13 32.479 0.400 . 1 . . . A 77 PRO CB . 25576 1 989 . 1 1 91 91 PRO CG C 13 28.213 0.400 . 1 . . . A 77 PRO CG . 25576 1 990 . 1 1 91 91 PRO CD C 13 50.873 0.400 . 1 . . . A 77 PRO CD . 25576 1 991 . 1 1 92 92 LYS H H 1 8.073 0.020 . 1 . . . A 78 LYS H . 25576 1 992 . 1 1 92 92 LYS HA H 1 3.956 0.020 . 1 . . . A 78 LYS HA . 25576 1 993 . 1 1 92 92 LYS HB2 H 1 1.724 0.020 . 1 . . . A 78 LYS HB2 . 25576 1 994 . 1 1 92 92 LYS HB3 H 1 1.603 0.020 . 1 . . . A 78 LYS HB3 . 25576 1 995 . 1 1 92 92 LYS HG2 H 1 1.332 0.020 . 2 . . . A 78 LYS HG2 . 25576 1 996 . 1 1 92 92 LYS HG3 H 1 1.332 0.020 . 2 . . . A 78 LYS HG3 . 25576 1 997 . 1 1 92 92 LYS HD2 H 1 1.571 0.020 . 2 . . . A 78 LYS HD2 . 25576 1 998 . 1 1 92 92 LYS HD3 H 1 1.571 0.020 . 2 . . . A 78 LYS HD3 . 25576 1 999 . 1 1 92 92 LYS HE2 H 1 2.882 0.020 . 2 . . . A 78 LYS HE2 . 25576 1 1000 . 1 1 92 92 LYS HE3 H 1 2.882 0.020 . 2 . . . A 78 LYS HE3 . 25576 1 1001 . 1 1 92 92 LYS C C 13 179.328 0.400 . 1 . . . A 78 LYS C . 25576 1 1002 . 1 1 92 92 LYS CA C 13 59.012 0.400 . 1 . . . A 78 LYS CA . 25576 1 1003 . 1 1 92 92 LYS CB C 13 32.845 0.400 . 1 . . . A 78 LYS CB . 25576 1 1004 . 1 1 92 92 LYS CG C 13 24.293 0.400 . 1 . . . A 78 LYS CG . 25576 1 1005 . 1 1 92 92 LYS CD C 13 29.290 0.400 . 1 . . . A 78 LYS CD . 25576 1 1006 . 1 1 92 92 LYS CE C 13 42.055 0.400 . 1 . . . A 78 LYS CE . 25576 1 1007 . 1 1 92 92 LYS N N 15 115.329 0.400 . 1 . . . A 78 LYS N . 25576 1 1008 . 1 1 93 93 GLU H H 1 7.978 0.020 . 1 . . . A 79 GLU H . 25576 1 1009 . 1 1 93 93 GLU HA H 1 3.957 0.020 . 1 . . . A 79 GLU HA . 25576 1 1010 . 1 1 93 93 GLU HB2 H 1 2.204 0.020 . 1 . . . A 79 GLU HB2 . 25576 1 1011 . 1 1 93 93 GLU HB3 H 1 2.025 0.020 . 1 . . . A 79 GLU HB3 . 25576 1 1012 . 1 1 93 93 GLU HG2 H 1 2.263 0.020 . 2 . . . A 79 GLU HG2 . 25576 1 1013 . 1 1 93 93 GLU HG3 H 1 2.263 0.020 . 2 . . . A 79 GLU HG3 . 25576 1 1014 . 1 1 93 93 GLU C C 13 178.566 0.400 . 1 . . . A 79 GLU C . 25576 1 1015 . 1 1 93 93 GLU CA C 13 58.790 0.400 . 1 . . . A 79 GLU CA . 25576 1 1016 . 1 1 93 93 GLU CB C 13 30.290 0.400 . 1 . . . A 79 GLU CB . 25576 1 1017 . 1 1 93 93 GLU CG C 13 36.108 0.400 . 1 . . . A 79 GLU CG . 25576 1 1018 . 1 1 93 93 GLU N N 15 120.840 0.400 . 1 . . . A 79 GLU N . 25576 1 1019 . 1 1 94 94 LEU H H 1 7.486 0.020 . 1 . . . A 80 LEU H . 25576 1 1020 . 1 1 94 94 LEU HA H 1 4.222 0.020 . 1 . . . A 80 LEU HA . 25576 1 1021 . 1 1 94 94 LEU HB2 H 1 1.478 0.020 . 2 . . . A 80 LEU HB2 . 25576 1 1022 . 1 1 94 94 LEU HB3 H 1 1.478 0.020 . 2 . . . A 80 LEU HB3 . 25576 1 1023 . 1 1 94 94 LEU HG H 1 1.398 0.020 . 1 . . . A 80 LEU HG . 25576 1 1024 . 1 1 94 94 LEU HD11 H 1 0.564 0.020 . 2 . . . A 80 LEU HD11 . 25576 1 1025 . 1 1 94 94 LEU HD12 H 1 0.564 0.020 . 2 . . . A 80 LEU HD12 . 25576 1 1026 . 1 1 94 94 LEU HD13 H 1 0.564 0.020 . 2 . . . A 80 LEU HD13 . 25576 1 1027 . 1 1 94 94 LEU HD21 H 1 0.284 0.020 . 2 . . . A 80 LEU HD21 . 25576 1 1028 . 1 1 94 94 LEU HD22 H 1 0.284 0.020 . 2 . . . A 80 LEU HD22 . 25576 1 1029 . 1 1 94 94 LEU HD23 H 1 0.284 0.020 . 2 . . . A 80 LEU HD23 . 25576 1 1030 . 1 1 94 94 LEU C C 13 176.602 0.400 . 1 . . . A 80 LEU C . 25576 1 1031 . 1 1 94 94 LEU CA C 13 54.613 0.400 . 1 . . . A 80 LEU CA . 25576 1 1032 . 1 1 94 94 LEU CB C 13 42.453 0.400 . 1 . . . A 80 LEU CB . 25576 1 1033 . 1 1 94 94 LEU CG C 13 27.096 0.400 . 1 . . . A 80 LEU CG . 25576 1 1034 . 1 1 94 94 LEU CD1 C 13 25.841 0.400 . 1 . . . A 80 LEU CD1 . 25576 1 1035 . 1 1 94 94 LEU CD2 C 13 20.817 0.400 . 1 . . . A 80 LEU CD2 . 25576 1 1036 . 1 1 94 94 LEU N N 15 115.072 0.400 . 1 . . . A 80 LEU N . 25576 1 1037 . 1 1 95 95 GLY H H 1 7.644 0.020 . 1 . . . A 81 GLY H . 25576 1 1038 . 1 1 95 95 GLY HA2 H 1 3.892 0.020 . 2 . . . A 81 GLY HA2 . 25576 1 1039 . 1 1 95 95 GLY HA3 H 1 3.892 0.020 . 2 . . . A 81 GLY HA3 . 25576 1 1040 . 1 1 95 95 GLY C C 13 175.390 0.400 . 1 . . . A 81 GLY C . 25576 1 1041 . 1 1 95 95 GLY CA C 13 46.622 0.400 . 1 . . . A 81 GLY CA . 25576 1 1042 . 1 1 95 95 GLY N N 15 108.019 0.400 . 1 . . . A 81 GLY N . 25576 1 1043 . 1 1 96 96 MET H H 1 7.628 0.020 . 1 . . . A 82 MET H . 25576 1 1044 . 1 1 96 96 MET HA H 1 4.185 0.020 . 1 . . . A 82 MET HA . 25576 1 1045 . 1 1 96 96 MET HB2 H 1 1.704 0.020 . 2 . . . A 82 MET HB2 . 25576 1 1046 . 1 1 96 96 MET HB3 H 1 1.704 0.020 . 2 . . . A 82 MET HB3 . 25576 1 1047 . 1 1 96 96 MET HG2 H 1 1.925 0.020 . 2 . . . A 82 MET HG2 . 25576 1 1048 . 1 1 96 96 MET HG3 H 1 1.925 0.020 . 2 . . . A 82 MET HG3 . 25576 1 1049 . 1 1 96 96 MET HE1 H 1 1.897 0.020 . 1 . . . A 82 MET HE1 . 25576 1 1050 . 1 1 96 96 MET HE2 H 1 1.897 0.020 . 1 . . . A 82 MET HE2 . 25576 1 1051 . 1 1 96 96 MET HE3 H 1 1.897 0.020 . 1 . . . A 82 MET HE3 . 25576 1 1052 . 1 1 96 96 MET C C 13 174.482 0.400 . 1 . . . A 82 MET C . 25576 1 1053 . 1 1 96 96 MET CA C 13 57.019 0.400 . 1 . . . A 82 MET CA . 25576 1 1054 . 1 1 96 96 MET CB C 13 34.089 0.400 . 1 . . . A 82 MET CB . 25576 1 1055 . 1 1 96 96 MET CG C 13 33.436 0.400 . 1 . . . A 82 MET CG . 25576 1 1056 . 1 1 96 96 MET CE C 13 15.780 0.400 . 1 . . . A 82 MET CE . 25576 1 1057 . 1 1 96 96 MET N N 15 117.606 0.400 . 1 . . . A 82 MET N . 25576 1 1058 . 1 1 97 97 GLU H H 1 9.314 0.020 . 1 . . . A 83 GLU H . 25576 1 1059 . 1 1 97 97 GLU HA H 1 4.457 0.020 . 1 . . . A 83 GLU HA . 25576 1 1060 . 1 1 97 97 GLU HB2 H 1 2.057 0.020 . 1 . . . A 83 GLU HB2 . 25576 1 1061 . 1 1 97 97 GLU HB3 H 1 1.776 0.020 . 1 . . . A 83 GLU HB3 . 25576 1 1062 . 1 1 97 97 GLU HG2 H 1 2.203 0.020 . 2 . . . A 83 GLU HG2 . 25576 1 1063 . 1 1 97 97 GLU HG3 H 1 2.203 0.020 . 2 . . . A 83 GLU HG3 . 25576 1 1064 . 1 1 97 97 GLU C C 13 174.297 0.400 . 1 . . . A 83 GLU C . 25576 1 1065 . 1 1 97 97 GLU CA C 13 53.875 0.400 . 1 . . . A 83 GLU CA . 25576 1 1066 . 1 1 97 97 GLU CB C 13 33.937 0.400 . 1 . . . A 83 GLU CB . 25576 1 1067 . 1 1 97 97 GLU CG C 13 36.073 0.400 . 1 . . . A 83 GLU CG . 25576 1 1068 . 1 1 97 97 GLU N N 15 120.980 0.400 . 1 . . . A 83 GLU N . 25576 1 1069 . 1 1 98 98 GLU H H 1 8.341 0.020 . 1 . . . A 84 GLU H . 25576 1 1070 . 1 1 98 98 GLU HA H 1 4.199 0.020 . 1 . . . A 84 GLU HA . 25576 1 1071 . 1 1 98 98 GLU HB2 H 1 2.085 0.020 . 1 . . . A 84 GLU HB2 . 25576 1 1072 . 1 1 98 98 GLU HB3 H 1 1.917 0.020 . 1 . . . A 84 GLU HB3 . 25576 1 1073 . 1 1 98 98 GLU HG2 H 1 2.239 0.020 . 2 . . . A 84 GLU HG2 . 25576 1 1074 . 1 1 98 98 GLU HG3 H 1 2.239 0.020 . 2 . . . A 84 GLU HG3 . 25576 1 1075 . 1 1 98 98 GLU C C 13 177.527 0.400 . 1 . . . A 84 GLU C . 25576 1 1076 . 1 1 98 98 GLU CA C 13 58.549 0.400 . 1 . . . A 84 GLU CA . 25576 1 1077 . 1 1 98 98 GLU CB C 13 29.993 0.400 . 1 . . . A 84 GLU CB . 25576 1 1078 . 1 1 98 98 GLU CG C 13 36.288 0.400 . 1 . . . A 84 GLU CG . 25576 1 1079 . 1 1 98 98 GLU N N 15 119.063 0.400 . 1 . . . A 84 GLU N . 25576 1 1080 . 1 1 99 99 GLU H H 1 9.357 0.020 . 1 . . . A 85 GLU H . 25576 1 1081 . 1 1 99 99 GLU HA H 1 3.645 0.020 . 1 . . . A 85 GLU HA . 25576 1 1082 . 1 1 99 99 GLU HB2 H 1 2.350 0.020 . 2 . . . A 85 GLU HB2 . 25576 1 1083 . 1 1 99 99 GLU HB3 H 1 2.350 0.020 . 2 . . . A 85 GLU HB3 . 25576 1 1084 . 1 1 99 99 GLU HG2 H 1 2.389 0.020 . 2 . . . A 85 GLU HG2 . 25576 1 1085 . 1 1 99 99 GLU HG3 H 1 2.389 0.020 . 2 . . . A 85 GLU HG3 . 25576 1 1086 . 1 1 99 99 GLU C C 13 175.047 0.400 . 1 . . . A 85 GLU C . 25576 1 1087 . 1 1 99 99 GLU CA C 13 58.846 0.400 . 1 . . . A 85 GLU CA . 25576 1 1088 . 1 1 99 99 GLU CB C 13 26.691 0.400 . 1 . . . A 85 GLU CB . 25576 1 1089 . 1 1 99 99 GLU CG C 13 37.181 0.400 . 1 . . . A 85 GLU CG . 25576 1 1090 . 1 1 99 99 GLU N N 15 118.840 0.400 . 1 . . . A 85 GLU N . 25576 1 1091 . 1 1 100 100 ASP H H 1 8.155 0.020 . 1 . . . A 86 ASP H . 25576 1 1092 . 1 1 100 100 ASP HA H 1 4.880 0.020 . 1 . . . A 86 ASP HA . 25576 1 1093 . 1 1 100 100 ASP HB2 H 1 2.955 0.020 . 1 . . . A 86 ASP HB2 . 25576 1 1094 . 1 1 100 100 ASP HB3 H 1 2.739 0.020 . 1 . . . A 86 ASP HB3 . 25576 1 1095 . 1 1 100 100 ASP C C 13 174.417 0.400 . 1 . . . A 86 ASP C . 25576 1 1096 . 1 1 100 100 ASP CA C 13 55.822 0.400 . 1 . . . A 86 ASP CA . 25576 1 1097 . 1 1 100 100 ASP CB C 13 41.926 0.400 . 1 . . . A 86 ASP CB . 25576 1 1098 . 1 1 100 100 ASP N N 15 120.217 0.400 . 1 . . . A 86 ASP N . 25576 1 1099 . 1 1 101 101 VAL H H 1 8.191 0.020 . 1 . . . A 87 VAL H . 25576 1 1100 . 1 1 101 101 VAL HA H 1 4.924 0.020 . 1 . . . A 87 VAL HA . 25576 1 1101 . 1 1 101 101 VAL HB H 1 1.998 0.020 . 1 . . . A 87 VAL HB . 25576 1 1102 . 1 1 101 101 VAL HG11 H 1 1.046 0.020 . 2 . . . A 87 VAL HG11 . 25576 1 1103 . 1 1 101 101 VAL HG12 H 1 1.046 0.020 . 2 . . . A 87 VAL HG12 . 25576 1 1104 . 1 1 101 101 VAL HG13 H 1 1.046 0.020 . 2 . . . A 87 VAL HG13 . 25576 1 1105 . 1 1 101 101 VAL HG21 H 1 1.046 0.020 . 2 . . . A 87 VAL HG21 . 25576 1 1106 . 1 1 101 101 VAL HG22 H 1 1.046 0.020 . 2 . . . A 87 VAL HG22 . 25576 1 1107 . 1 1 101 101 VAL HG23 H 1 1.046 0.020 . 2 . . . A 87 VAL HG23 . 25576 1 1108 . 1 1 101 101 VAL C C 13 176.064 0.400 . 1 . . . A 87 VAL C . 25576 1 1109 . 1 1 101 101 VAL CA C 13 61.311 0.400 . 1 . . . A 87 VAL CA . 25576 1 1110 . 1 1 101 101 VAL CB C 13 35.067 0.400 . 1 . . . A 87 VAL CB . 25576 1 1111 . 1 1 101 101 VAL CG1 C 13 22.131 0.400 . 1 . . . A 87 VAL CG1 . 25576 1 1112 . 1 1 101 101 VAL CG2 C 13 22.131 0.400 . 1 . . . A 87 VAL CG2 . 25576 1 1113 . 1 1 101 101 VAL N N 15 116.641 0.400 . 1 . . . A 87 VAL N . 25576 1 1114 . 1 1 102 102 ILE H H 1 9.165 0.020 . 1 . . . A 88 ILE H . 25576 1 1115 . 1 1 102 102 ILE HA H 1 4.845 0.020 . 1 . . . A 88 ILE HA . 25576 1 1116 . 1 1 102 102 ILE HB H 1 1.737 0.020 . 1 . . . A 88 ILE HB . 25576 1 1117 . 1 1 102 102 ILE HG12 H 1 0.869 0.020 . 2 . . . A 88 ILE HG12 . 25576 1 1118 . 1 1 102 102 ILE HG13 H 1 0.869 0.020 . 2 . . . A 88 ILE HG13 . 25576 1 1119 . 1 1 102 102 ILE HG21 H 1 0.917 0.020 . 1 . . . A 88 ILE HG21 . 25576 1 1120 . 1 1 102 102 ILE HG22 H 1 0.917 0.020 . 1 . . . A 88 ILE HG22 . 25576 1 1121 . 1 1 102 102 ILE HG23 H 1 0.917 0.020 . 1 . . . A 88 ILE HG23 . 25576 1 1122 . 1 1 102 102 ILE HD11 H 1 0.648 0.020 . 1 . . . A 88 ILE HD11 . 25576 1 1123 . 1 1 102 102 ILE HD12 H 1 0.648 0.020 . 1 . . . A 88 ILE HD12 . 25576 1 1124 . 1 1 102 102 ILE HD13 H 1 0.648 0.020 . 1 . . . A 88 ILE HD13 . 25576 1 1125 . 1 1 102 102 ILE C C 13 174.967 0.400 . 1 . . . A 88 ILE C . 25576 1 1126 . 1 1 102 102 ILE CA C 13 59.381 0.400 . 1 . . . A 88 ILE CA . 25576 1 1127 . 1 1 102 102 ILE CB C 13 40.984 0.400 . 1 . . . A 88 ILE CB . 25576 1 1128 . 1 1 102 102 ILE CG1 C 13 27.793 0.400 . 1 . . . A 88 ILE CG1 . 25576 1 1129 . 1 1 102 102 ILE CG2 C 13 17.814 0.400 . 1 . . . A 88 ILE CG2 . 25576 1 1130 . 1 1 102 102 ILE CD1 C 13 14.898 0.400 . 1 . . . A 88 ILE CD1 . 25576 1 1131 . 1 1 102 102 ILE N N 15 127.353 0.400 . 1 . . . A 88 ILE N . 25576 1 1132 . 1 1 103 103 GLU H H 1 8.858 0.020 . 1 . . . A 89 GLU H . 25576 1 1133 . 1 1 103 103 GLU HA H 1 4.820 0.020 . 1 . . . A 89 GLU HA . 25576 1 1134 . 1 1 103 103 GLU HB2 H 1 1.965 0.020 . 2 . . . A 89 GLU HB2 . 25576 1 1135 . 1 1 103 103 GLU HB3 H 1 1.965 0.020 . 2 . . . A 89 GLU HB3 . 25576 1 1136 . 1 1 103 103 GLU HG2 H 1 2.294 0.020 . 1 . . . A 89 GLU HG2 . 25576 1 1137 . 1 1 103 103 GLU HG3 H 1 2.099 0.020 . 1 . . . A 89 GLU HG3 . 25576 1 1138 . 1 1 103 103 GLU C C 13 175.262 0.400 . 1 . . . A 89 GLU C . 25576 1 1139 . 1 1 103 103 GLU CA C 13 55.158 0.400 . 1 . . . A 89 GLU CA . 25576 1 1140 . 1 1 103 103 GLU CB C 13 33.359 0.400 . 1 . . . A 89 GLU CB . 25576 1 1141 . 1 1 103 103 GLU CG C 13 36.636 0.400 . 1 . . . A 89 GLU CG . 25576 1 1142 . 1 1 103 103 GLU N N 15 125.851 0.400 . 1 . . . A 89 GLU N . 25576 1 1143 . 1 1 104 104 VAL H H 1 7.770 0.020 . 1 . . . A 90 VAL H . 25576 1 1144 . 1 1 104 104 VAL HA H 1 4.817 0.020 . 1 . . . A 90 VAL HA . 25576 1 1145 . 1 1 104 104 VAL HB H 1 1.260 0.020 . 1 . . . A 90 VAL HB . 25576 1 1146 . 1 1 104 104 VAL HG11 H 1 0.188 0.020 . 2 . . . A 90 VAL HG11 . 25576 1 1147 . 1 1 104 104 VAL HG12 H 1 0.188 0.020 . 2 . . . A 90 VAL HG12 . 25576 1 1148 . 1 1 104 104 VAL HG13 H 1 0.188 0.020 . 2 . . . A 90 VAL HG13 . 25576 1 1149 . 1 1 104 104 VAL HG21 H 1 0.006 0.020 . 2 . . . A 90 VAL HG21 . 25576 1 1150 . 1 1 104 104 VAL HG22 H 1 0.006 0.020 . 2 . . . A 90 VAL HG22 . 25576 1 1151 . 1 1 104 104 VAL HG23 H 1 0.006 0.020 . 2 . . . A 90 VAL HG23 . 25576 1 1152 . 1 1 104 104 VAL C C 13 174.870 0.400 . 1 . . . A 90 VAL C . 25576 1 1153 . 1 1 104 104 VAL CA C 13 59.412 0.400 . 1 . . . A 90 VAL CA . 25576 1 1154 . 1 1 104 104 VAL CB C 13 34.031 0.400 . 1 . . . A 90 VAL CB . 25576 1 1155 . 1 1 104 104 VAL CG1 C 13 21.875 0.400 . 1 . . . A 90 VAL CG1 . 25576 1 1156 . 1 1 104 104 VAL CG2 C 13 22.257 0.400 . 1 . . . A 90 VAL CG2 . 25576 1 1157 . 1 1 104 104 VAL N N 15 119.735 0.400 . 1 . . . A 90 VAL N . 25576 1 1158 . 1 1 105 105 TYR H H 1 8.540 0.020 . 1 . . . A 91 TYR H . 25576 1 1159 . 1 1 105 105 TYR HA H 1 4.621 0.020 . 1 . . . A 91 TYR HA . 25576 1 1160 . 1 1 105 105 TYR HB2 H 1 3.019 0.020 . 1 . . . A 91 TYR HB2 . 25576 1 1161 . 1 1 105 105 TYR HB3 H 1 2.327 0.020 . 1 . . . A 91 TYR HB3 . 25576 1 1162 . 1 1 105 105 TYR HD1 H 1 6.900 0.020 . 1 . . . A 91 TYR HD1 . 25576 1 1163 . 1 1 105 105 TYR HD2 H 1 6.900 0.020 . 1 . . . A 91 TYR HD2 . 25576 1 1164 . 1 1 105 105 TYR HE1 H 1 6.679 0.020 . 1 . . . A 91 TYR HE1 . 25576 1 1165 . 1 1 105 105 TYR HE2 H 1 6.679 0.020 . 1 . . . A 91 TYR HE2 . 25576 1 1166 . 1 1 105 105 TYR C C 13 174.588 0.400 . 1 . . . A 91 TYR C . 25576 1 1167 . 1 1 105 105 TYR CA C 13 56.018 0.400 . 1 . . . A 91 TYR CA . 25576 1 1168 . 1 1 105 105 TYR CB C 13 42.641 0.400 . 1 . . . A 91 TYR CB . 25576 1 1169 . 1 1 105 105 TYR CD1 C 13 132.894 0.400 . 1 . . . A 91 TYR CD1 . 25576 1 1170 . 1 1 105 105 TYR CD2 C 13 132.894 0.400 . 1 . . . A 91 TYR CD2 . 25576 1 1171 . 1 1 105 105 TYR CE1 C 13 118.494 0.400 . 1 . . . A 91 TYR CE1 . 25576 1 1172 . 1 1 105 105 TYR CE2 C 13 118.494 0.400 . 1 . . . A 91 TYR CE2 . 25576 1 1173 . 1 1 105 105 TYR N N 15 124.243 0.400 . 1 . . . A 91 TYR N . 25576 1 1174 . 1 1 106 106 GLN H H 1 8.726 0.020 . 1 . . . A 92 GLN H . 25576 1 1175 . 1 1 106 106 GLN HA H 1 4.529 0.020 . 1 . . . A 92 GLN HA . 25576 1 1176 . 1 1 106 106 GLN HB2 H 1 1.986 0.020 . 1 . . . A 92 GLN HB2 . 25576 1 1177 . 1 1 106 106 GLN HB3 H 1 2.126 0.020 . 1 . . . A 92 GLN HB3 . 25576 1 1178 . 1 1 106 106 GLN HG2 H 1 2.428 0.020 . 2 . . . A 92 GLN HG2 . 25576 1 1179 . 1 1 106 106 GLN HG3 H 1 2.428 0.020 . 2 . . . A 92 GLN HG3 . 25576 1 1180 . 1 1 106 106 GLN HE21 H 1 7.555 0.020 . 1 . . . A 92 GLN HE21 . 25576 1 1181 . 1 1 106 106 GLN HE22 H 1 6.856 0.020 . 1 . . . A 92 GLN HE22 . 25576 1 1182 . 1 1 106 106 GLN C C 13 176.679 0.400 . 1 . . . A 92 GLN C . 25576 1 1183 . 1 1 106 106 GLN CA C 13 56.135 0.400 . 1 . . . A 92 GLN CA . 25576 1 1184 . 1 1 106 106 GLN CB C 13 29.342 0.400 . 1 . . . A 92 GLN CB . 25576 1 1185 . 1 1 106 106 GLN CG C 13 34.102 0.400 . 1 . . . A 92 GLN CG . 25576 1 1186 . 1 1 106 106 GLN N N 15 120.784 0.400 . 1 . . . A 92 GLN N . 25576 1 1187 . 1 1 106 106 GLN NE2 N 15 113.162 0.400 . 1 . . . A 92 GLN NE2 . 25576 1 1188 . 1 1 107 107 GLU H H 1 8.419 0.020 . 1 . . . A 93 GLU H . 25576 1 1189 . 1 1 107 107 GLU HA H 1 4.364 0.020 . 1 . . . A 93 GLU HA . 25576 1 1190 . 1 1 107 107 GLU HB2 H 1 1.883 0.020 . 1 . . . A 93 GLU HB2 . 25576 1 1191 . 1 1 107 107 GLU HB3 H 1 1.656 0.020 . 1 . . . A 93 GLU HB3 . 25576 1 1192 . 1 1 107 107 GLU HG2 H 1 2.045 0.020 . 2 . . . A 93 GLU HG2 . 25576 1 1193 . 1 1 107 107 GLU HG3 H 1 2.045 0.020 . 2 . . . A 93 GLU HG3 . 25576 1 1194 . 1 1 107 107 GLU C C 13 176.244 0.400 . 1 . . . A 93 GLU C . 25576 1 1195 . 1 1 107 107 GLU CA C 13 56.111 0.400 . 1 . . . A 93 GLU CA . 25576 1 1196 . 1 1 107 107 GLU CB C 13 30.517 0.400 . 1 . . . A 93 GLU CB . 25576 1 1197 . 1 1 107 107 GLU CG C 13 35.388 0.400 . 1 . . . A 93 GLU CG . 25576 1 1198 . 1 1 107 107 GLU N N 15 125.131 0.400 . 1 . . . A 93 GLU N . 25576 1 1199 . 1 1 108 108 GLN H H 1 8.780 0.020 . 1 . . . A 94 GLN H . 25576 1 1200 . 1 1 108 108 GLN HA H 1 4.439 0.020 . 1 . . . A 94 GLN HA . 25576 1 1201 . 1 1 108 108 GLN HB2 H 1 2.108 0.020 . 1 . . . A 94 GLN HB2 . 25576 1 1202 . 1 1 108 108 GLN HB3 H 1 1.999 0.020 . 1 . . . A 94 GLN HB3 . 25576 1 1203 . 1 1 108 108 GLN HG2 H 1 2.310 0.020 . 2 . . . A 94 GLN HG2 . 25576 1 1204 . 1 1 108 108 GLN HG3 H 1 2.310 0.020 . 2 . . . A 94 GLN HG3 . 25576 1 1205 . 1 1 108 108 GLN HE21 H 1 6.816 0.020 . 1 . . . A 94 GLN HE21 . 25576 1 1206 . 1 1 108 108 GLN HE22 H 1 6.442 0.020 . 1 . . . A 94 GLN HE22 . 25576 1 1207 . 1 1 108 108 GLN C C 13 176.135 0.400 . 1 . . . A 94 GLN C . 25576 1 1208 . 1 1 108 108 GLN CA C 13 55.585 0.400 . 1 . . . A 94 GLN CA . 25576 1 1209 . 1 1 108 108 GLN CB C 13 29.513 0.400 . 1 . . . A 94 GLN CB . 25576 1 1210 . 1 1 108 108 GLN CG C 13 33.666 0.400 . 1 . . . A 94 GLN CG . 25576 1 1211 . 1 1 108 108 GLN N N 15 122.912 0.400 . 1 . . . A 94 GLN N . 25576 1 1212 . 1 1 108 108 GLN NE2 N 15 109.984 0.400 . 1 . . . A 94 GLN NE2 . 25576 1 1213 . 1 1 109 109 THR H H 1 8.392 0.020 . 1 . . . A 95 THR H . 25576 1 1214 . 1 1 109 109 THR HA H 1 4.294 0.020 . 1 . . . A 95 THR HA . 25576 1 1215 . 1 1 109 109 THR HB H 1 4.208 0.020 . 1 . . . A 95 THR HB . 25576 1 1216 . 1 1 109 109 THR HG21 H 1 1.167 0.020 . 1 . . . A 95 THR HG21 . 25576 1 1217 . 1 1 109 109 THR HG22 H 1 1.167 0.020 . 1 . . . A 95 THR HG22 . 25576 1 1218 . 1 1 109 109 THR HG23 H 1 1.167 0.020 . 1 . . . A 95 THR HG23 . 25576 1 1219 . 1 1 109 109 THR C C 13 175.136 0.400 . 1 . . . A 95 THR C . 25576 1 1220 . 1 1 109 109 THR CA C 13 61.971 0.400 . 1 . . . A 95 THR CA . 25576 1 1221 . 1 1 109 109 THR CB C 13 69.829 0.400 . 1 . . . A 95 THR CB . 25576 1 1222 . 1 1 109 109 THR CG2 C 13 21.545 0.400 . 1 . . . A 95 THR CG2 . 25576 1 1223 . 1 1 109 109 THR N N 15 116.094 0.400 . 1 . . . A 95 THR N . 25576 1 1224 . 1 1 110 110 GLY H H 1 8.508 0.020 . 1 . . . A 96 GLY H . 25576 1 1225 . 1 1 110 110 GLY HA2 H 1 3.949 0.020 . 2 . . . A 96 GLY HA2 . 25576 1 1226 . 1 1 110 110 GLY HA3 H 1 3.949 0.020 . 2 . . . A 96 GLY HA3 . 25576 1 1227 . 1 1 110 110 GLY C C 13 173.704 0.400 . 1 . . . A 96 GLY C . 25576 1 1228 . 1 1 110 110 GLY CA C 13 45.424 0.400 . 1 . . . A 96 GLY CA . 25576 1 1229 . 1 1 110 110 GLY N N 15 111.858 0.400 . 1 . . . A 96 GLY N . 25576 1 1230 . 1 1 111 111 GLY H H 1 8.031 0.020 . 1 . . . A 97 GLY H . 25576 1 1231 . 1 1 111 111 GLY HA2 H 1 3.723 0.020 . 2 . . . A 97 GLY HA2 . 25576 1 1232 . 1 1 111 111 GLY HA3 H 1 3.723 0.020 . 2 . . . A 97 GLY HA3 . 25576 1 1233 . 1 1 111 111 GLY CA C 13 46.124 0.400 . 1 . . . A 97 GLY CA . 25576 1 1234 . 1 1 111 111 GLY N N 15 115.357 0.400 . 1 . . . A 97 GLY N . 25576 1 stop_ save_